| SpectraBase Spectrum ID |
HXmMPtf0s8J |
| Name |
4-chloro-2-mercapto-benzoic acid methyl ester |
| Alternate Name(s) |
methyl 4-chloranyl-2-sulfanyl-benzoate
methyl 4-chloro-2-sulfanyl-benzoate
4-chloro-2-mercaptobenzoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H7ClO2S |
| InChI |
InChI=1S/C8H7ClO2S/c1-11-8(10)6-3-2-5(9)4-7(6)12/h2-4,12H,1H3 |
| InChIKey |
HSIGYOXIBAWNGO-UHFFFAOYSA-N |
| Molecular Weight |
202.655 g/mol |
| SMILES |
Sc1c(C(=O)OC)ccc(Cl)c1 |
| SPLASH |
splash10-00di-0910000000-9f48553a633fd6e76c57 |
| Source of Spectrum |
J-58-6492-9 |
| Wiley ID |
1199196 |
