| SpectraBase Spectrum ID |
8cLof5xRxRn |
| Name |
Benzenepropanoic acid, .alpha.-(1-methylethyl)-.alpha.-(methylthio)- |
| Alternate Name(s) |
2-Benzyl-2-methylthio-3-methylbutanoic acid
2-Benzyl-3-methyl-2-(methylsulfanyl)butanoic acid |
| CAS Registry Number |
58475-10-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2S |
| InChI |
InChI=1S/C13H18O2S/c1-10(2)13(16-3,12(14)15)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,15) |
| InChIKey |
JXIYUUKOYJFSPV-UHFFFAOYSA-N |
| Molecular Weight |
238.345 g/mol |
| SMILES |
OC(C(Cc1ccccc1)(SC)C(C)C)=O |
| SPLASH |
splash10-0f6w-4900000000-08b91aa9133eb2271c7b |
| Source of Spectrum |
C-99-3111-0 |
| Wiley ID |
1240429 |
