| SpectraBase Spectrum ID |
5AoD3tXeuN3 |
| Name |
2,2-dimethyl-3-(phenylthio)propanoic acid methyl ester |
| Alternate Name(s) |
2,2-dimethyl-3-(phenylthio)propionic acid methyl ester
methyl 2,2-dimethyl-3-phenylsulfanylpropanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O2S |
| InChI |
InChI=1S/C12H16O2S/c1-12(2,11(13)14-3)9-15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey |
NKKQOGMLDQSRQJ-UHFFFAOYSA-N |
| Molecular Weight |
224.318 g/mol |
| SMILES |
C(C(CSc1ccccc1)(C)C)(=O)OC |
| SPLASH |
splash10-00di-0930000000-e8a33c2b938422a63637 |
| Source of Spectrum |
KC-0-2868-14 |
| Wiley ID |
826421 |
