SpectraBase Spectrum ID |
JH79c6vcdqi |
Name |
2-Chlorobenzoic acid |
CAS Registry Number |
118-91-2 |
Classification |
Chemical |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
155.997807099 u |
Formula |
C7H5ClO2 |
InChI |
InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) |
InChIKey |
IKCLCGXPQILATA-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
156.568 g/mol |
Nominal Mass |
156 u |
Quality |
992 |
Retention Index |
1330 |
SMILES |
OC(C=1C(=CC=CC1)Cl)=O |
SPLASH |
splash10-0a4r-2900000000-b65d2f06d02ab8117d2a |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
o-Chloro-benzoic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_024283 |