| SpectraBase Spectrum ID |
6qVtl7hhm1z |
| Name |
4-Nitrophenol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
100-02-7
22098-38-0
57936-22-8
64047-79-6
64047-80-9
64047-81-0
64047-82-1
64047-83-2
64070-86-6
824-78-2 |
| ChEBI ID |
16836 |
| Comments |
100 mM 4-Nitrophenol - vendor: Adrich 13,023-0; 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 |
C6H5NO3 |
| IUPAC Name |
4-nitrophenol |
| InChI |
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H |
| InChIKey |
BTJIUGUIPKRLHP-UHFFFAOYSA-N |
| KEGG Compound ID |
C00870 |
| KEGG Pathways |
PATH: map00361 gamma-Hexachlorocyclohexane degradation |
| PubChem Compound ID |
980 |
| SMILES |
C1=CC(=CC=C1[N+](=O)[O-])O |
| Source File Reference |
bmse000223 |
