| SpectraBase Spectrum ID |
9mTXoBgNrxB |
| Name |
(1S,2R,5S)-Methyl (S)-4-Chlorophenylsufinylacetate |
| Alternate Name(s) |
(1R,2S,4S,5S)-5-chloro-5-isopropyl-2-methyl-4-(phenylsulfinyl)cyclohexyl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H25ClO3S |
| InChI |
InChI=1S/C18H25ClO3S/c1-12(2)18(19)11-16(22-14(4)20)13(3)10-17(18)23(21)15-8-6-5-7-9-15/h5-9,12-13,16-17H,10-11H2,1-4H3/t13-,16+,17-,18-,23?/m0/s1 |
| InChIKey |
RKQYTKJIJVBWKD-SFORPAEOSA-N |
| Molecular Weight |
356.908 g/mol |
| SMILES |
[C@@]1([C@@](C[C@]([C@](C1)(C)[H])(OC(=O)C)[H])(Cl)C(C)C)(S(=O)c1ccccc1)[H] |
| SPLASH |
splash10-0a4i-0900000000-58911b59cea6368e520c |
| Source of Spectrum |
F-47-6607-2 |
| Wiley ID |
1345673 |
