SpectraBase Spectrum ID |
JAqHguVrzXv |
Name |
2-phenylthiosuccinic acid 4-isopropyl ester |
Alternate Name(s) |
isopropyl 3-phenylthiosuccinic monoacid |
Appearance |
Colorless crystals |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H16O4S |
InChI |
InChI=1S/C13H16O4S/c1-9(2)17-12(14)8-11(13(15)16)18-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,16) |
InChIKey |
YVHHGBCVFQXLEY-UHFFFAOYSA-N |
Instrument Name |
HP 5890 Series II-5971 Series |
Ionization Type |
EI |
Literature Reference DOI |
10.1002_1097-0231(20001015)14_19_1746 |
Molecular Weight |
268.327 g/mol |
Reported Formula |
C13H16O4S |
SMILES |
OC(C(CC(OC(C)C)=O)Sc1ccccc1)=O |
SPLASH |
splash10-0apu-3920000000-e2ffb6717d1fadb5594f |
Source of Spectrum |
RCM-14-1747-4 |
Wiley ID |
1839119 |