| SpectraBase Spectrum ID |
JqtUzQr0qyi |
| Name |
2,2-Dimethyl-5-(phenylthio)-3-pentanone |
| CAS Registry Number |
137518-35-5 |
| Comments |
Note: The molecular formula of the structure shown is C13H18OS - which differs from the formula reported for the mass spectrum (C13H18Os) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18Os |
| InChI |
InChI=1S/C13H18OS/c1-13(2,3)12(14)9-10-15-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey |
RSQOXXWOYLOAEJ-UHFFFAOYSA-N |
| Molecular Weight |
222.346 g/mol |
| SMILES |
C(C(C)(C)C)(=O)CCSc1ccccc1 |
| SPLASH |
splash10-00di-3930000000-13d875555cbad978b55c |
| Source of Spectrum |
J-57-27-6 |
| Synonyms |
4,4-Dimethyl-1-(phenylsulfanyl)-3-pentanone |
| Wiley ID |
1351614 |
