| SpectraBase Spectrum ID |
55mxPP9840 |
| Name |
4-Chlorobenzoic acid |
| CAS Registry Number |
3686-66-6 |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
155.997807099 u |
| Formula |
C7H5ClO2 |
| InChI |
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey |
XRHGYUZYPHTUJZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
156.568 g/mol |
| Nominal Mass |
156 u |
| Quality |
975 |
| Retention Index |
1336 |
| SMILES |
OC(C1=CC=C(C=C1)Cl)=O |
| SPLASH |
splash10-0bti-3900000000-5857296d84ab326c9ee7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,3-chloro-
Benzoic acid,4-chloro-
p-Chlorobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024286 |
