| SpectraBase Spectrum ID |
LPDxTO7M7RM |
| Name |
(trans)-4-tert-Butyl-2-(4-chlorophenylsulfanyl)cyclohexanone |
| Alternate Name(s) |
(2R,4S)-4-(tert-butyl)-2-((4-chlorophenyl)thio)cyclohexan-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21ClOS |
| InChI |
InChI=1S/C16H21ClOS/c1-16(2,3)11-4-9-14(18)15(10-11)19-13-7-5-12(17)6-8-13/h5-8,11,15H,4,9-10H2,1-3H3/t11-,15+/m0/s1 |
| InChIKey |
VYFFWIBKMIINSH-XHDPSFHLSA-N |
| Literature Reference DOI |
10.1039/C5RA17913K |
| Molecular Weight |
296.856 g/mol |
| SMILES |
C1C([C@@](C[C@](C1)(C(C)(C)C)[H])(Sc1ccc(cc1)Cl)[H])=O |
| SPLASH |
splash10-0002-0390000000-a22e59d7ddd3b2544949 |
| Source of Spectrum |
RSA-5-96702-7f_major |
| Wiley ID |
1802726 |
