| SpectraBase Spectrum ID |
4MJEtPhFYm |
| Name |
1-Naphthoic acid |
| CAS Registry Number |
86-55-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
172.052429496 u |
| Formula |
C11H8O2 |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
172.183 g/mol |
| Nominal Mass |
172 u |
| Quality |
976 |
| Retention Index |
1896 |
| SMILES |
OC(C=1C=2C(C=CC1)=CC=CC2)=O |
| SPLASH |
splash10-00fr-1900000000-c021c84c789f184441b4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Carboxynaphthalene
1-Naphthalenecarboxylic acid
Naphthoic acid
alpha-Naphthoic acid
Naphthalene-1-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023567 |
