| SpectraBase Spectrum ID |
GiXzplgy5Z1 |
| Name |
2-methyl-3-(phenylthio)propanoic acid propan-2-yl ester |
| Alternate Name(s) |
2-methyl-3-(phenylthio)propionic acid isopropyl ester
propan-2-yl 2-methyl-3-phenylsulfanyl-propanoate
propan-2-yl 2-methyl-3-phenylsulfanylpropanoate |
| Comments |
Removed - unrepairable contamination (CH2Cl2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2S |
| InChI |
InChI=1S/C13H18O2S/c1-10(2)15-13(14)11(3)9-16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChIKey |
JHLSGICBZCCQLZ-UHFFFAOYSA-N |
| Molecular Weight |
238.345 g/mol |
| SMILES |
C(C(CSc1ccccc1)C)(=O)OC(C)C |
| SPLASH |
splash10-001r-9000000000-c17316bf0d5d4098610f |
| Source of Spectrum |
KC-57-5253-0 |
| Wiley ID |
1624582 |
