| SpectraBase Spectrum ID |
8CTErFko0i4 |
| Name |
alpha-Naphthoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
86-55-5 |
| Comments |
100 mM alpha-naphthoic acid - vendor: Eastman Kodak 1774; 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 |
C11H8O2 |
| IUPAC Name |
naphthalene-1-carboxylic acid |
| InChI |
InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13) |
| InChIKey |
LNETULKMXZVUST-UHFFFAOYSA-N |
| KEGG Compound ID |
C14091 |
| KEGG Pathways |
PATH: map00624 1- and 2-Methylnaphthalene degradation |
| PubChem Compound ID |
6847 |
| SMILES |
C1=CC=C2C(=C1)C=CC=C2C(=O)O |
| Source File Reference |
bmse000178 |
