| SpectraBase Spectrum ID |
87pZ017O0Tx |
| Name |
(2,2-dimethyl-4-nitro-5-phenyl-3H-pyrrol-4-yl) benzoate |
| CAS Registry Number |
121261-26-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18N2O4 |
| InChI |
InChI=1S/C19H18N2O4/c1-18(2)13-19(21(23)24,16(20-18)14-9-5-3-6-10-14)25-17(22)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3 |
| InChIKey |
RYKQCYAPMWQTRD-UHFFFAOYSA-N |
| Molecular Weight |
338.363 g/mol |
| SMILES |
C1(N(=O)=O)(C(=NC(C1)(C)C)c1ccccc1)OC(=O)c1ccccc1 |
| SPLASH |
splash10-0006-0090000000-0aac7473b98dd5159c4d |
| Source of Spectrum |
B-41-1619-20 |
| Synonyms |
benzoic acid (2,2-dimethyl-4-nitro-5-phenyl-3H-pyrrol-4-yl) ester
benzoic acid (5,5-dimethyl-3-nitro-2-phenyl-1-pyrrolin-3-yl) ester |
| Wiley ID |
1333730 |
