| SpectraBase Spectrum ID |
MkhvtwQgyG |
| Name |
4H-1,2,4-Triazole-3,5-dicarboxylic acid, 4-(4-nitrophenyl)-, dimethyl ester |
| CAS Registry Number |
81268-39-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10N4O6 |
| InChI |
InChI=1S/C12H10N4O6/c1-21-11(17)9-13-14-10(12(18)22-2)15(9)7-3-5-8(6-4-7)16(19)20/h3-6H,1-2H3 |
| InChIKey |
QNFQGYZQWAVIOY-UHFFFAOYSA-N |
| Molecular Weight |
306.234 g/mol |
| SMILES |
c1([n](c(nn1)C(=O)OC)-c1ccc(N(=O)=O)cc1)C(=O)OC |
| SPLASH |
splash10-001i-0090000000-09997ec9b54b903f6d52 |
| Source of Spectrum |
K-115-693-0 |
| Synonyms |
dimethyl 4-(4-nitrophenyl)-4H-1,2,4-triazole-3,5-dicarboxylate
Dimethyl ester of 4-(4-nitrophenyl)-1,2,4-triazol-3,5-dicarboxylic acid |
| Wiley ID |
1307665 |
