| SpectraBase Spectrum ID |
DliZ98uMUSm |
| Name |
3-Nitrobenzoic acid |
| CAS Registry Number |
121-92-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
167.021857641 u |
| Formula |
C7H5NO4 |
| InChI |
InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) |
| InChIKey |
AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
167.120 g/mol |
| Nominal Mass |
167 u |
| Quality |
991 |
| Retention Index |
1268 |
| SMILES |
OC(C1=CC([N+](=O)[O-])=CC=C1)=O |
| SPLASH |
splash10-014i-9400000000-e88725c796b0e055943f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-nitrobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003237 |
