| SpectraBase Spectrum ID |
egKr4Wq7Kr |
| Name |
Heptanoic acid, 4-oxo-5-(phenylthio)- |
| Alternate Name(s) |
4-Oxo-5-(phenylsulfanyl)heptanoic acid
4-Oxo-5-phenylthioheptanoic acid |
| CAS Registry Number |
109574-15-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O3S |
| InChI |
InChI=1S/C13H16O3S/c1-2-12(11(14)8-9-13(15)16)17-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,15,16) |
| InChIKey |
YGLSXKTWGPRECG-UHFFFAOYSA-N |
| Molecular Weight |
252.328 g/mol |
| SMILES |
OC(CCC(C(Sc1ccccc1)CC)=O)=O |
| SPLASH |
splash10-0udi-0960000000-43b28ffa4f831c399eed |
| Source of Spectrum |
KC-1986-2003-0 |
| Wiley ID |
1255319 |
