SpectraBase Spectrum ID |
1C9dXSMD3fg |
Name |
Cyclopentanecarboxylic acid, 2-[1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-5-oxo-, methyl ester, [1.alpha.,2.beta.(E)]-(.+-.)- |
CAS Registry Number |
125278-64-0 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C18H22O4S |
InChI |
InChI=1S/C18H22O4S/c1-18(2,11-12-23(21)13-7-5-4-6-8-13)14-9-10-15(19)16(14)17(20)22-3/h4-8,11-12,14,16H,9-10H2,1-3H3/b12-11+/t14-,16+,23?/m0/s1 |
InChIKey |
UNLOATOECUAOHT-JCNVSJNOSA-N |
Molecular Weight |
334.430 g/mol |
SMILES |
[C@@]1([C@@](C(\C=C\S(=O)c2ccccc2)(C)C)(CCC1=O)[H])(C(=O)OC)[H] |
SPLASH |
splash10-004i-0900000000-6a3dbc492c6b62338bf7 |
Source of Spectrum |
B-42-1465-7 |
Synonyms |
Methyl (1R,2S)-2-[(2E)-1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-5-oxocyclopentanecarboxylate
[1RS,2RS,2'E,r(S),s(S)]-2-[1',1'-dimethyl-3'-(phenylsulfinyl)prop-2'-enyl]-5-oxocyclopentane-1-carboxylate |
Wiley ID |
1330861 |