| SpectraBase Spectrum ID |
7lfaWn7mTX5 |
| Name |
Benzenebutanoic acid, .beta.-methyl-.gamma.-oxo-.beta.-(phenylthio)- |
| CAS Registry Number |
79749-83-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O3S |
| InChI |
InChI=1S/C17H16O3S/c1-17(12-15(18)19,21-14-10-6-3-7-11-14)16(20)13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19) |
| InChIKey |
XREIPYJDUXKXRQ-UHFFFAOYSA-N |
| Molecular Weight |
300.372 g/mol |
| SMILES |
OC(CC(C(=O)c1ccccc1)(Sc1ccccc1)C)=O |
| SPLASH |
splash10-0002-0900000000-1d5639f3793b40f701ad |
| Source of Spectrum |
KC-1981-2756-0 |
| Synonyms |
3-Methyl-4-oxo-4-phenyl-3-(phenylsulfanyl)butanoic acid
3-Methyl-4-oxo-4-phenyl-3-(phenylthio)butanioc acid |
| Wiley ID |
1302864 |
