| SpectraBase Spectrum ID |
7B0PtHpE0fy |
| Name |
Hexanoic acid, 5,5-dimethyl-4-oxo-3-(phenylthio)- |
| CAS Registry Number |
79772-17-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O3S |
| InChI |
InChI=1S/C14H18O3S/c1-14(2,3)13(17)11(9-12(15)16)18-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16) |
| InChIKey |
FJPGYCGUFNYOQG-UHFFFAOYSA-N |
| Molecular Weight |
266.355 g/mol |
| SMILES |
OC(CC(C(C(C)(C)C)=O)Sc1ccccc1)=O |
| SPLASH |
splash10-001i-0920000000-6d469cdf4c95f904a5e8 |
| Source of Spectrum |
KC-1981-2756-0 |
| Synonyms |
5,5-Dimethyl-4-oxo-3-(phenylsulfanyl)hexanoic acid
5,5-Dimethyl-4-oxo-3-(phenylthio)hexanoic acid |
| Wiley ID |
1269804 |
