| SpectraBase Spectrum ID |
DQek7Sp3gMP |
| Name |
1-(4-nitrophenyl)-2-sulfanylidene-3-pyridinecarboxylic acid |
| Alternate Name(s) |
1-(4-nitrophenyl)-2-sulfanylidene-pyridine-3-carboxylic acid
1-(4-nitrophenyl)-2-thioxo-nicotinic acid
1-(4-nitrophenyl)-2-thioxo-pyridine-3-carboxylic acid |
| CAS Registry Number |
91540-60-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H8N2O4S |
| InChI |
InChI=1S/C12H8N2O4S/c15-12(16)10-2-1-7-13(11(10)19)8-3-5-9(6-4-8)14(17)18/h1-7H,(H,15,16) |
| InChIKey |
NADLREFZSYKFEU-UHFFFAOYSA-N |
| Molecular Weight |
276.266 g/mol |
| SMILES |
OC(C=1C(N(c2ccc(N(=O)=O)cc2)C=CC1)=S)=O |
| SPLASH |
splash10-004i-0090000000-b23e1ec4dec6bfc2b850 |
| Source of Spectrum |
Y-21-45-4 |
| Wiley ID |
1279600 |
