| SpectraBase Spectrum ID |
JHWrKdo4qZM |
| Name |
4-Chlorobenzoic acid methyl ester |
| CAS Registry Number |
1126-46-1 |
| 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)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey |
LXNFVVDCCWUUKC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
170.595 g/mol |
| Nominal Mass |
170 u |
| Quality |
982 |
| Retention Index |
1181 |
| SMILES |
C=1(C(OC)=O)C=CC(=CC1)Cl |
| SPLASH |
splash10-01p9-2900000000-f1f8509fd774e991f36e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Moclobemide-M
methyl 4-chloro benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032492 |
