O-xylene
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00762 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| o-xylene | Solute | Saturated1 |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 9 | 10 | 11 | 17 | 15 | 16 | 18 | 12 | 13 | 14 | |
|---|---|---|---|---|---|---|---|---|---|---|
| 9 | 2.262 | -14.9 | -14.9 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 10 | 0 | 2.262 | -14.9 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 11 | 0 | 0 | 2.262 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 7.095 | 7.752 | 1.588 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 7.128 | 7.47 | 1.588 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 7.128 | 7.752 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 7.095 | 0 | 0 | 0 |
| 12 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.262 | -14.9 | -14.9 |
| 13 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.262 | -14.9 |
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.262 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.26204 | 1.0 | standard |
| 7.08377 | 0.0533185 | standard |
| 7.09117 | 0.0839948 | standard |
| 7.09379 | 0.0756685 | standard |
| 7.09619 | 0.0776663 | standard |
| 7.10242 | 0.149938 | standard |
| 7.10978 | 0.0483456 | standard |
| 7.11308 | 0.0478562 | standard |
| 7.12053 | 0.147639 | standard |
| 7.12682 | 0.0776393 | standard |
| 7.12925 | 0.0761267 | standard |
| 7.13177 | 0.0840319 | standard |
| 7.13924 | 0.0532666 | standard |
| 2.26204 | 1.0 | standard |
| 7.11148 | 0.694058 | standard |
| 2.26204 | 1.0 | standard |
| 7.1115 | 0.644636 | standard |
| 2.26204 | 1.0 | standard |
| 6.9967 | 0.01007 | standard |
| 7.11151 | 0.592792 | standard |
| 7.22646 | 0.0100671 | standard |
| 2.26204 | 1.0 | standard |
| 7.00845 | 0.0108221 | standard |
| 7.11149 | 0.569417 | standard |
| 7.21456 | 0.0108181 | standard |
| 2.26204 | 1.0 | standard |
| 7.01792 | 0.011658 | standard |
| 7.11151 | 0.547595 | standard |
| 7.20504 | 0.0116551 | standard |
| 2.26204 | 1.0 | standard |
| 7.06098 | 0.0235671 | standard |
| 7.10792 | 0.313484 | standard |
| 7.11509 | 0.31349 | standard |
| 7.16193 | 0.0235861 | standard |
| 2.26204 | 1.0 | standard |
| 7.07433 | 0.0350453 | standard |
| 7.08877 | 0.0676332 | standard |
| 7.09742 | 0.083371 | standard |
| 7.1059 | 0.22738 | standard |
| 7.11703 | 0.227641 | standard |
| 7.12562 | 0.0828571 | standard |
| 7.13419 | 0.0675115 | standard |
| 7.14864 | 0.0353131 | standard |
| 2.26204 | 1.0 | standard |
| 7.08035 | 0.0450164 | standard |
| 7.09026 | 0.0760848 | standard |
| 7.09661 | 0.0758203 | standard |
| 7.10381 | 0.165583 | standard |
| 7.11153 | 0.0902549 | standard |
| 7.11912 | 0.163626 | standard |
| 7.12641 | 0.0758869 | standard |
| 7.13279 | 0.0753873 | standard |
| 7.14262 | 0.0455031 | standard |
| 2.26204 | 1.0 | standard |
| 7.08377 | 0.0533234 | standard |
| 7.09117 | 0.0839925 | standard |
| 7.09379 | 0.0756566 | standard |
| 7.09619 | 0.0776494 | standard |
| 7.10242 | 0.149906 | standard |
| 7.10978 | 0.0483186 | standard |
| 7.11308 | 0.0478291 | standard |
| 7.12053 | 0.147606 | standard |
| 7.12682 | 0.0776223 | standard |
| 7.12925 | 0.0761147 | standard |
| 7.13177 | 0.0840297 | standard |
| 7.13924 | 0.0532706 | standard |
| 2.26204 | 1.0 | standard |
| 7.08035 | 0.0112344 | standard |
| 7.08587 | 0.060457 | standard |
| 7.09205 | 0.0886699 | standard |
| 7.09488 | 0.0829503 | standard |
| 7.0957 | 0.0830846 | standard |
| 7.1014 | 0.139834 | standard |
| 7.10722 | 0.036738 | standard |
| 7.11578 | 0.0362322 | standard |
| 7.12156 | 0.142235 | standard |
| 7.12717 | 0.082835 | standard |
| 7.12789 | 0.0823729 | standard |
| 7.13097 | 0.087909 | standard |
| 7.13708 | 0.0596644 | standard |
| 7.14267 | 0.0111665 | standard |
| 2.26204 | 1.0 | standard |
| 7.08245 | 0.0117967 | standard |
| 7.0873 | 0.065181 | standard |
| 7.09255 | 0.0905986 | standard |
| 7.09543 | 0.0887928 | standard |
| 7.10064 | 0.13696 | standard |
| 7.10574 | 0.0319835 | standard |
| 7.11728 | 0.0321601 | standard |
| 7.12231 | 0.134491 | standard |
| 7.12758 | 0.0886949 | standard |
| 7.13045 | 0.0906333 | standard |
| 7.13565 | 0.0642138 | standard |
| 7.14057 | 0.0117303 | standard |
| 2.26204 | 1.0 | standard |
| 7.0832 | 0.0119478 | standard |
| 7.08789 | 0.0667824 | standard |
| 7.09274 | 0.0916509 | standard |
| 7.09543 | 0.0916775 | standard |
| 7.10034 | 0.133011 | standard |
| 7.10511 | 0.03064 | standard |
| 7.1179 | 0.03066 | standard |
| 7.12267 | 0.133167 | standard |
| 7.12755 | 0.0896683 | standard |
| 7.13021 | 0.0914828 | standard |
| 7.13507 | 0.0678891 | standard |
| 7.13971 | 0.0118862 | standard |
| 2.26204 | 1.0 | standard |
| 7.08397 | 0.0120833 | standard |
| 7.08843 | 0.0693851 | standard |
| 7.09293 | 0.0924655 | standard |
| 7.09548 | 0.092794 | standard |
| 7.10004 | 0.129664 | standard |
| 7.10456 | 0.0300614 | standard |
| 7.11842 | 0.0295847 | standard |
| 7.12291 | 0.132109 | standard |
| 7.12754 | 0.0930085 | standard |
| 7.13002 | 0.092428 | standard |
| 7.13458 | 0.0692897 | standard |
| 7.13904 | 0.0120663 | standard |
| 2.26204 | 1.0 | standard |
| 7.08524 | 0.0125414 | standard |
| 7.08917 | 0.0728207 | standard |
| 7.09322 | 0.0938673 | standard |
| 7.09549 | 0.0956133 | standard |
| 7.09954 | 0.129174 | standard |
| 7.10364 | 0.027963 | standard |
| 7.11937 | 0.0279808 | standard |
| 7.12346 | 0.129289 | standard |
| 7.12746 | 0.0980767 | standard |
| 7.12974 | 0.0931353 | standard |
| 7.13384 | 0.0727014 | standard |
| 7.13774 | 0.012718 | standard |
| 2.26204 | 1.0 | standard |
| 7.08573 | 0.0127437 | standard |
| 7.08951 | 0.075035 | standard |
| 7.09336 | 0.0935222 | standard |
| 7.09555 | 0.0972371 | standard |
| 7.09935 | 0.127032 | standard |
| 7.10321 | 0.0276204 | standard |
| 7.11977 | 0.0270301 | standard |
| 7.12366 | 0.127018 | standard |
| 7.12746 | 0.0972626 | standard |
| 7.12964 | 0.0936274 | standard |
| 7.13344 | 0.0739083 | standard |
| 7.13728 | 0.0126556 | standard |
| 2.26204 | 1.0 | standard |
| 7.08622 | 0.0129354 | standard |
| 7.08981 | 0.0760855 | standard |
| 7.09346 | 0.0943231 | standard |
| 7.0955 | 0.0992298 | standard |
| 7.09915 | 0.124844 | standard |
| 7.10281 | 0.0268722 | standard |
| 7.12017 | 0.0262704 | standard |
| 7.12386 | 0.124992 | standard |
| 7.12746 | 0.0965198 | standard |
| 7.12955 | 0.0940456 | standard |
| 7.13315 | 0.0747865 | standard |
| 7.1368 | 0.0128384 | standard |
| 2.26204 | 1.0 | standard |
| 7.08703 | 0.0133683 | standard |
| 7.0903 | 0.0777713 | standard |
| 7.0936 | 0.0955246 | standard |
| 7.0955 | 0.0977398 | standard |
| 7.0988 | 0.124044 | standard |
| 7.10219 | 0.025823 | standard |
| 7.12082 | 0.0258487 | standard |
| 7.12421 | 0.124201 | standard |
| 7.12745 | 0.100494 | standard |
| 7.12936 | 0.094592 | standard |
| 7.13266 | 0.0790856 | standard |
| 7.13599 | 0.0132163 | standard |
| 2.26204 | 1.0 | standard |
| 7.08829 | 0.0139482 | standard |
| 7.09104 | 0.0817631 | standard |
| 7.09389 | 0.0964633 | standard |
| 7.09551 | 0.101395 | standard |
| 7.09825 | 0.121547 | standard |
| 7.10109 | 0.0241347 | standard |
| 7.12185 | 0.0242735 | standard |
| 7.12475 | 0.121536 | standard |
| 7.1275 | 0.101467 | standard |
| 7.12912 | 0.0967405 | standard |
| 7.13187 | 0.0821534 | standard |
| 7.13473 | 0.0136616 | standard |