2-Naphthoic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00982 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13) | |
| Note 1 | 14,16?15.17 | |
| Note 2 | 18?19 | |
| Note 3 | ethanol 5.3479,3.5624,1.1155 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-naphthoic acid | Solute | Saturated1 |
| ethanol | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 14 | 15 | 17 | 20 | 19 | 18 | 16 | |
|---|---|---|---|---|---|---|---|
| 14 | 7.58 | 6.706 | 1.346 | 0 | 0 | 0 | 7.5 |
| 15 | 0 | 7.536 | 8.242 | 0 | 0 | 0 | 0.836 |
| 17 | 0 | 0 | 7.965 | 0 | 0 | 0 | 0 |
| 20 | 0 | 0 | 0 | 8.601 | 1.543 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 7.902 | 9.091 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 8.045 | 0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 0 | 7.901 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.11065 | 1.125e-06 | standard |
| 7.52033 | 0.212099 | standard |
| 7.53445 | 0.461574 | standard |
| 7.54959 | 0.392473 | standard |
| 7.56762 | 0.323534 | standard |
| 7.58082 | 0.458323 | standard |
| 7.59389 | 0.208161 | standard |
| 7.89392 | 0.962889 | standard |
| 7.90948 | 1.00006 | standard |
| 7.95765 | 0.486776 | standard |
| 7.97263 | 0.456118 | standard |
| 8.03627 | 0.696006 | standard |
| 8.05441 | 0.545352 | standard |
| 8.60079 | 0.887188 | standard |
| 8.60197 | 0.887187 | standard |
| -0.998467 | 0.000106125 | standard |
| 7.42123 | 0.192792 | standard |
| 7.57242 | 0.332765 | standard |
| 7.64574 | 0.535116 | standard |
| 7.72581 | 0.344041 | standard |
| 7.82674 | 0.478723 | standard |
| 7.87415 | 0.556272 | standard |
| 7.9775 | 1.0 | standard |
| 8.21336 | 0.0902321 | standard |
| 8.60013 | 0.464736 | standard |
| -0.99073 | 6.3125e-05 | standard |
| 7.47396 | 0.315331 | standard |
| 7.50002 | 0.288532 | standard |
| 7.57545 | 0.432654 | standard |
| 7.6203 | 0.579139 | standard |
| 7.84663 | 0.480571 | standard |
| 7.9509 | 0.968933 | standard |
| 7.99902 | 1.0 | standard |
| 8.15162 | 0.146696 | standard |
| 8.59992 | 0.602366 | standard |
| -0.99083 | 4.1125e-05 | standard |
| 7.43455 | 0.0789304 | standard |
| 7.50034 | 0.398844 | standard |
| 7.55811 | 0.499329 | standard |
| 7.60449 | 0.583654 | standard |
| 7.85674 | 0.485712 | standard |
| 7.87927 | 0.445104 | standard |
| 7.94278 | 1.0 | standard |
| 8.00711 | 0.948536 | standard |
| 8.12095 | 0.203407 | standard |
| 8.59996 | 0.677386 | standard |
| -0.98101 | 3.3125e-05 | standard |
| 7.44561 | 0.08236 | standard |
| 7.51017 | 0.427179 | standard |
| 7.55757 | 0.525082 | standard |
| 7.59681 | 0.57402 | standard |
| 7.65192 | 0.157679 | standard |
| 7.86067 | 0.487767 | standard |
| 7.94121 | 1.0 | standard |
| 8.01057 | 0.930304 | standard |
| 8.11098 | 0.22464 | standard |
| 8.59992 | 0.687599 | standard |
| -0.986565 | 2.7125e-05 | standard |
| 7.45454 | 0.083756 | standard |
| 7.51626 | 0.442195 | standard |
| 7.55765 | 0.535752 | standard |
| 7.59 | 0.567418 | standard |
| 7.64598 | 0.147962 | standard |
| 7.86395 | 0.485618 | standard |
| 7.92909 | 1.0 | standard |
| 7.93885 | 0.985225 | standard |
| 8.01308 | 0.941293 | standard |
| 8.10326 | 0.239183 | standard |
| 8.60021 | 0.682956 | standard |
| -0.989937 | 9.125e-06 | standard |
| 7.49577 | 0.13509 | standard |
| 7.52872 | 0.408274 | standard |
| 7.54684 | 0.405389 | standard |
| 7.55882 | 0.712593 | standard |
| 7.58043 | 0.455401 | standard |
| 7.58833 | 0.412273 | standard |
| 7.61439 | 0.165716 | standard |
| 7.88127 | 0.725576 | standard |
| 7.92193 | 1.0 | standard |
| 7.94203 | 0.535044 | standard |
| 7.98045 | 0.35139 | standard |
| 7.98917 | 0.379161 | standard |
| 8.02554 | 0.778945 | standard |
| 8.07099 | 0.421061 | standard |
| 8.60027 | 0.844887 | standard |
| 8.60259 | 0.844883 | standard |
| -0.883411 | 4.125e-06 | standard |
| 7.50933 | 0.170356 | standard |
| 7.53164 | 0.435326 | standard |
| 7.55662 | 0.678674 | standard |
| 7.58081 | 0.417763 | standard |
| 7.58435 | 0.412571 | standard |
| 7.603 | 0.182228 | standard |
| 7.8884 | 0.856719 | standard |
| 7.91444 | 1.00001 | standard |
| 7.95021 | 0.463938 | standard |
| 7.95432 | 0.451681 | standard |
| 7.97628 | 0.407652 | standard |
| 7.98044 | 0.406838 | standard |
| 8.03121 | 0.735686 | standard |
| 8.06149 | 0.488822 | standard |
| 8.60045 | 0.87062 | standard |
| 8.60236 | 0.870566 | standard |
| -0.629395 | 2.125e-06 | standard |
| 7.51621 | 0.194369 | standard |
| 7.53348 | 0.449912 | standard |
| 7.55259 | 0.430563 | standard |
| 7.56228 | 0.351726 | standard |
| 7.56522 | 0.354379 | standard |
| 7.58104 | 0.439126 | standard |
| 7.59735 | 0.196495 | standard |
| 7.89193 | 0.923932 | standard |
| 7.91134 | 1.0001 | standard |
| 7.9543 | 0.476687 | standard |
| 7.95628 | 0.477677 | standard |
| 7.97407 | 0.436674 | standard |
| 7.97602 | 0.43374 | standard |
| 8.03429 | 0.710493 | standard |
| 8.05699 | 0.522776 | standard |
| 8.6006 | 0.876832 | standard |
| 8.60217 | 0.876832 | standard |
| -0.111047 | 1.125e-06 | standard |
| 7.52033 | 0.212116 | standard |
| 7.53445 | 0.461581 | standard |
| 7.54959 | 0.392433 | standard |
| 7.56762 | 0.323489 | standard |
| 7.58082 | 0.458309 | standard |
| 7.59389 | 0.208159 | standard |
| 7.89392 | 0.962904 | standard |
| 7.90948 | 1.00006 | standard |
| 7.95765 | 0.486748 | standard |
| 7.97263 | 0.456101 | standard |
| 8.03627 | 0.696061 | standard |
| 8.05441 | 0.545433 | standard |
| 8.60079 | 0.88716 | standard |
| 8.60197 | 0.88716 | standard |
| -0.369328 | 1.125e-06 | standard |
| 7.52311 | 0.225944 | standard |
| 7.53486 | 0.469487 | standard |
| 7.5476 | 0.382927 | standard |
| 7.56931 | 0.317079 | standard |
| 7.58052 | 0.472287 | standard |
| 7.59156 | 0.217804 | standard |
| 7.89523 | 0.990671 | standard |
| 7.9082 | 1.00005 | standard |
| 7.95875 | 0.493837 | standard |
| 7.97128 | 0.461035 | standard |
| 8.03756 | 0.694881 | standard |
| 8.05273 | 0.567176 | standard |
| 8.60091 | 0.900129 | standard |
| 8.60195 | 0.900128 | standard |
| -0.630981 | 1.125e-06 | standard |
| 7.525 | 0.234315 | standard |
| 7.53525 | 0.464385 | standard |
| 7.54612 | 0.3623 | standard |
| 7.57065 | 0.304955 | standard |
| 7.58038 | 0.474842 | standard |
| 7.58986 | 0.222921 | standard |
| 7.8961 | 1.00004 | standard |
| 7.9073 | 0.967765 | standard |
| 7.95943 | 0.495968 | standard |
| 7.97053 | 0.466061 | standard |
| 8.03855 | 0.679852 | standard |
| 8.05154 | 0.570986 | standard |
| 8.60105 | 0.898195 | standard |
| 8.60182 | 0.898195 | standard |
| -0.750203 | 1.125e-06 | standard |
| 7.52583 | 0.238956 | standard |
| 7.53534 | 0.468072 | standard |
| 7.54549 | 0.357777 | standard |
| 7.5713 | 0.299419 | standard |
| 7.58027 | 0.473767 | standard |
| 7.58928 | 0.22787 | standard |
| 7.89646 | 1.00019 | standard |
| 7.90696 | 0.960156 | standard |
| 7.95982 | 0.49147 | standard |
| 7.97026 | 0.473973 | standard |
| 8.03895 | 0.677769 | standard |
| 8.05104 | 0.575825 | standard |
| 8.60094 | 0.890675 | standard |
| 8.60183 | 0.890675 | standard |
| -0.872401 | 1.125e-06 | standard |
| 7.52646 | 0.241391 | standard |
| 7.53547 | 0.468693 | standard |
| 7.54495 | 0.352048 | standard |
| 7.57167 | 0.298369 | standard |
| 7.58019 | 0.473215 | standard |
| 7.58865 | 0.227945 | standard |
| 7.89672 | 1.0 | standard |
| 7.90661 | 0.938999 | standard |
| 7.96009 | 0.491101 | standard |
| 7.9699 | 0.469436 | standard |
| 8.03935 | 0.670809 | standard |
| 8.05064 | 0.575702 | standard |
| 8.6011 | 0.900926 | standard |
| 8.60167 | 0.900925 | standard |
| 7.5276 | 0.24474 | standard |
| 7.53559 | 0.458662 | standard |
| 7.54407 | 0.347693 | standard |
| 7.57245 | 0.299063 | standard |
| 7.58007 | 0.476812 | standard |
| 7.58756 | 0.225652 | standard |
| 7.89723 | 1.00005 | standard |
| 7.90611 | 0.902472 | standard |
| 7.96051 | 0.501753 | standard |
| 7.96944 | 0.475129 | standard |
| 8.03994 | 0.663452 | standard |
| 8.04995 | 0.579073 | standard |
| 8.60111 | 0.895312 | standard |
| 8.60165 | 0.895312 | standard |
| 7.52803 | 0.25545 | standard |
| 7.53572 | 0.466036 | standard |
| 7.54367 | 0.341918 | standard |
| 7.57292 | 0.292154 | standard |
| 7.58009 | 0.477317 | standard |
| 7.58716 | 0.228931 | standard |
| 7.89743 | 1.00005 | standard |
| 7.90592 | 0.894094 | standard |
| 7.96077 | 0.491768 | standard |
| 7.96916 | 0.484853 | standard |
| 8.04014 | 0.664152 | standard |
| 8.04975 | 0.583736 | standard |
| 8.60097 | 0.877013 | standard |
| 8.6018 | 0.877013 | standard |
| 7.52847 | 0.25788 | standard |
| 7.53568 | 0.461766 | standard |
| 7.54333 | 0.333801 | standard |
| 7.57322 | 0.288982 | standard |
| 7.58004 | 0.475003 | standard |
| 7.58687 | 0.228642 | standard |
| 7.89761 | 1.0 | standard |
| 7.90573 | 0.880377 | standard |
| 7.96098 | 0.480859 | standard |
| 7.96903 | 0.480668 | standard |
| 8.04034 | 0.655591 | standard |
| 8.04946 | 0.579921 | standard |
| 8.60123 | 0.899488 | standard |
| 8.60154 | 0.899488 | standard |
| 7.52916 | 0.25649 | standard |
| 7.53579 | 0.458971 | standard |
| 7.54269 | 0.331566 | standard |
| 7.57371 | 0.292073 | standard |
| 7.58003 | 0.473171 | standard |
| 7.58628 | 0.23632 | standard |
| 7.89793 | 1.00014 | standard |
| 7.9053 | 0.861389 | standard |
| 7.96135 | 0.476783 | standard |
| 7.96865 | 0.484919 | standard |
| 8.04073 | 0.652837 | standard |
| 8.04906 | 0.583901 | standard |
| 8.60118 | 0.889294 | standard |
| 8.60168 | 0.889294 | standard |
| 7.5303 | 0.264186 | standard |
| 7.53589 | 0.464318 | standard |
| 7.54175 | 0.327747 | standard |
| 7.57471 | 0.287174 | standard |
| 7.57997 | 0.481416 | standard |
| 7.58518 | 0.232729 | standard |
| 7.89852 | 1.00017 | standard |
| 7.9047 | 0.831171 | standard |
| 7.96193 | 0.484289 | standard |
| 7.96809 | 0.504352 | standard |
| 8.04133 | 0.658004 | standard |
| 8.04837 | 0.59867 | standard |
| 8.6012 | 0.897962 | standard |
| 8.60166 | 0.897962 | standard |