| SpectraBase Spectrum ID |
B0RdQDxLhGC |
| 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 |
VG-ZAB-HS |
| 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 |
splash10-0a5l-6920000000-3636d29b3d4f7e8193ff |
| Source of Spectrum |
RCM-14-1748-4 |
| Wiley ID |
1839120 |
