SpectraBase Spectrum ID |
2MZiJkqDHTI |
Name |
Propionic acid, 2-mercapto-, isopropyl ester, benzoate |
Alternate Name(s) |
Iso-propyl 2(benzoylthio)propionate
Isopropyl 2-(benzoylsulfanyl)propanoate
2-(benzoylthio)propanoic acid propan-2-yl ester
Propan-2-yl 2-benzoylsulfanylpropanoate
Isopropyl 2-benzoylsulfanylpropanoate
Propan-2-yl 2-(phenylcarbonylsulfanyl)propanoate
Isopropyl 2-(benzoylthio)propanoate |
CAS Registry Number |
19788-52-4 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H16O3S |
InChI |
InChI=1S/C13H16O3S/c1-9(2)16-12(14)10(3)17-13(15)11-7-5-4-6-8-11/h4-10H,1-3H3 |
InChIKey |
NQAAONKADAFGQF-UHFFFAOYSA-N |
Molecular Weight |
252.328 g/mol |
SMILES |
C(C(C)SC(c1ccccc1)=O)(=O)OC(C)C |
SPLASH |
splash10-0a4i-4900000000-452ccb7da96e8d429e0f |
Source of Spectrum |
JX-2015-6-6935 |
Wiley ID |
1729523 |