| SpectraBase Spectrum ID |
JFuisNc0rk8 |
| Name |
Methyl 3-chlorobenzoate |
| CAS Registry Number |
2905-65-9 |
| 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 |
170.013457163 u |
| Formula |
C8H7ClO2 |
| InChI |
InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3 |
| InChIKey |
XRDRKVPNHIWTBX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
170.595 g/mol |
| Nominal Mass |
170 u |
| Quality |
978 |
| Retention Index |
1181 |
| SMILES |
C=1(C(OC)=O)C=C(C=CC1)Cl |
| SPLASH |
splash10-000i-1900000000-737a1e30fcd0a589953b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Chloro-benzoic acid methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031251 |
