| SpectraBase Spectrum ID |
GYQWjEtBGoC |
| Name |
2-Chlorobenzoic acid |
| CAS Registry Number |
118-91-2 |
| 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 |
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 |
990 |
| Retention Index |
1081 |
| SMILES |
OC(C=1C(=CC=CC1)Cl)=O |
| SPLASH |
splash10-06ri-5900000000-294c4721e91d5a976f6c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
o-Chloro-benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000532 |
