| SpectraBase Spectrum ID |
FUjAJgo5IpQ |
| Name |
2-Methyl-4-(phenylthio)cyclohexanone |
| Alternate Name(s) |
2-methyl-4-(phenylsulfanyl)cyclohexanone |
| CAS Registry Number |
98678-16-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16OS |
| InChI |
InChI=1S/C13H16OS/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3 |
| InChIKey |
TWPVSHHGBQHJKL-UHFFFAOYSA-N |
| Molecular Weight |
220.330 g/mol |
| SMILES |
C1(C(CC(Sc2ccccc2)CC1)C)=O |
| SPLASH |
splash10-00di-0390000000-a229418c276dd2ea9eed |
| Source of Spectrum |
J-50-4600-15 |
| Wiley ID |
1219836 |
