| SpectraBase Spectrum ID |
7ET5iyGBhZg |
| Name |
4-(pyridin-3-ylsulfonyl)benzonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.030648678 u |
| Formula |
C12H8N2O2S |
| InChI |
InChI=1S/C12H8N2O2S/c13-8-10-3-5-11(6-4-10)17(15,16)12-2-1-7-14-9-12/h1-7,9H |
| InChIKey |
WJUPRIYGQCDFCV-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711104 |
| Molecular Weight |
244.268 g/mol |
| Quality |
251 |
| Reported Formula |
C12H8O2N2S |
| SMILES |
C1=CC(=CC=C1C#N)S(C1=CC=CN=C1)(=O)=O |
| SPLASH |
splash10-0f96-5690000000-0a90e517cf0fe258c9bc |
| Source of Spectrum |
ACI-57-SM15-6i (DOI: 10.1002/anie.201711104) |
| Wiley ID |
1891180 |
