2
3-[(1,1-Diethylprop-2-ynyl)amino]thiophene-2-carboxylic acid
Maybridge_Ro3_Fragment_12_B04
InChI=1S/C12H15NO2S/c1-4-12(5-2,6-3)13-9-7-8-16-10(9)11(14)15/h1,7-8,13H,5-6H2,2-3H3,(H,14,15)
./alatis_output_input_3d.mol
Bruker
./1H/
600.01
1
32768
1
Maybridge_Ro3_Fragment_12_B04_.jpg
2
0.07460
Approximately done
17 missing
24 - 26 same shift (both lower inchi number)
some aliphatic contaminants
1
1.0000
0.9000
0.1000
4.6000
5.0000
1
-0.1000
0.1000
1
2
1.0000
0.9000
0.1000
4.6000
5.0000
1
-0.1000
0.1000
1
3
1.0000
0.9000
0.1000
4.6000
5.0000
1
-0.1000
0.1000
1