| SpectraBase Spectrum ID |
JGyVh0OUTyq |
| Name |
Methyl 4-nitro benzoate |
| CAS Registry Number |
619-50-1 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
181.037507705 u |
| Formula |
C8H7NO4 |
| InChI |
InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 |
| InChIKey |
YOJAHJGBFDPSDI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
181.147 g/mol |
| Nominal Mass |
181 u |
| Quality |
925 |
| Retention Index |
1360 |
| SMILES |
C=1(C(OC)=O)C=CC(=CC1)[N+](=O)[O-] |
| SPLASH |
splash10-0udi-5900000000-26473e99d55d79c64496 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-nitro-,methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030569 |
