| SpectraBase Spectrum ID |
EiGeMfE9Jcu |
| Name |
p-Nitrobenzyl 4-methyl-1,2,5-thiadizole-3-carboxylate |
| Alternate Name(s) |
4-methyl-1,2,5-thiadiazole-3-carboxylic acid (4-nitrophenyl)methyl ester
(4-nitrophenyl)methyl 4-methyl-1,2,5-thiadiazole-3-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H9N3O4S |
| InChI |
InChI=1S/C11H9N3O4S/c1-7-10(13-19-12-7)11(15)18-6-8-2-4-9(5-3-8)14(16)17/h2-5H,6H2,1H3 |
| InChIKey |
BOMPJNKOSGEDFF-UHFFFAOYSA-N |
| Molecular Weight |
279.270 g/mol |
| SMILES |
c1(nsnc1C)C(OCc1ccc(N(=O)=O)cc1)=O |
| SPLASH |
splash10-0060-0090000000-1401899a5f283dacf1d4 |
| Source of Spectrum |
K-2001-665-3 |
| Wiley ID |
1578702 |
