| SpectraBase Spectrum ID |
1rxmlD8D898 |
| Name |
4-(benzenesulfonylmethyl)-3-nitro-1,4-dihydropyridine |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.051778044 u |
| Formula |
C12H12N2O4S |
| InChI |
InChI=1S/C12H12N2O4S/c15-14(16)12-8-13-7-6-10(12)9-19(17,18)11-4-2-1-3-5-11/h1-8,10,13H,9H2 |
| InChIKey |
ITRVXSONGRGPQI-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202201153 |
| Molecular Weight |
280.298 g/mol |
| Quality |
84 |
| Reported Formula |
C12H12N2O4S |
| SMILES |
N1C=C(C(C=C1)CS(C1=CC=CC=C1)(=O)=O)[N+]([O-])=O |
| SPLASH |
splash10-004i-0910000000-9cf33d9ccfbf06e3993a |
| Source of Spectrum |
QE-28-SM40-2d (DOI: 10.1002/chem.202201153) |
| Wiley ID |
1900579 |
