| SpectraBase Spectrum ID |
4K3xZHGeoaR |
| Name |
4-methyl-5-oxidanyl-1-phenylsulfanyl-pentan-2-one |
| Alternate Name(s) |
5-hydroxy-4-methyl-1-(phenylthio)-2-pentanone
5-hydroxy-4-methyl-1-(phenylthio)pentan-2-one
5-hydroxy-4-methyl-1-phenylsulfanyl-pentan-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O2S |
| InChI |
InChI=1S/C12H16O2S/c1-10(8-13)7-11(14)9-15-12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3 |
| InChIKey |
YFEQGTBOPIQYLO-UHFFFAOYSA-N |
| Molecular Weight |
224.318 g/mol |
| SMILES |
OCC(CC(CSc1ccccc1)=O)C |
| SPLASH |
splash10-0a4i-0090000000-9c0aa9d795409aea2168 |
| Source of Spectrum |
J-60-8386-6 |
| Wiley ID |
1224883 |
