| SpectraBase Spectrum ID |
6og6yLPoZxU |
| Name |
5-(Acetylamino)-2-nitrobenzoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
4368-83-6 |
| Comments |
100 mM 5-(acetylamino)-2-nitrobenzoic acid - vendor: Maybridge; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9H8N2O5 |
| IUPAC Name |
5-acetamido-2-nitro-benzoic acid |
| InChI |
InChI=1S/C9H8N2O5/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14) |
| InChIKey |
ZSHFMOUMOUOGKI-UHFFFAOYSA-N |
| PubChem Compound ID |
78076 |
| SMILES |
CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| Source File Reference |
bmse000174 |
