SpectraBase Spectrum ID |
5UvUOSZ04Lg |
Name |
2-Naphthoic acid |
CAS Registry Number |
93-09-4 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
172.052429496 u |
Formula |
C11H8O2 |
InChI |
InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13) |
InChIKey |
UOBYKYZJUGYBDK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
172.183 g/mol |
Nominal Mass |
172 u |
Quality |
997 |
Retention Index |
1668 |
SMILES |
OC(C=1C=C2C(=CC1)C=CC=C2)=O |
SPLASH |
splash10-00fr-3900000000-4d7578d19e68a1652ee6 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Isonaphthoic acid
beta-Naphthoic acid
Naphthalene-2-carboxylic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_023125 |