| SpectraBase Spectrum ID |
5fyTP9r3XkZ |
| Name |
Benzoic acid, 2-(methylthio)-, methyl ester |
| Alternate Name(s) |
2-(methylthio)benzoic acid methyl ester
Methyl 2-(methylsulfanyl)benzoate
Methyl 2-methylsulfanylbenzoate |
| CAS Registry Number |
3704-28-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H10O2S |
| InChI |
InChI=1S/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,1-2H3 |
| InChIKey |
CPQDZXPLQXZJGF-UHFFFAOYSA-N |
| Molecular Weight |
182.237 g/mol |
| SMILES |
C(OC)(=O)c1c(SC)cccc1 |
| SPLASH |
splash10-0ue9-2900000000-43849ebeede79dfe5908 |
| Source of Spectrum |
W5-12756-0-0 |
| Wiley ID |
1178098 |
