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Cyclopentanone, 3-[1-methyl-3-(phenylsulfinyl)-2-propenyl]-, [3R*[1R*,2E,3(R*)]]-(.+-.)-
SpectraBase Compound ID 5OmQG7B4cdu
InChI InChI=1S/C15H18O2S/c1-2-12(13-8-9-14(16)10-13)11-18(17)15-6-4-3-5-7-15/h3-7,11,13H,2,8-10H2,1H3/b12-11-
InChIKey QELFMJCDXHGTTB-QXMHVHEDSA-N
Mol Weight 262.37 g/mol
Molecular Formula C15H18O2S
Exact Mass 262.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Mu8jEk7Y2N
Name Cyclopentanone, 3-[1-methyl-3-(phenylsulfinyl)-2-propenyl]-, [3R*[1R*,2E,3(R*)]]-(.+-.)-
CAS Registry Number 114718-15-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2S
InChI InChI=1S/C15H18O2S/c1-2-12(13-8-9-14(16)10-13)11-18(17)15-6-4-3-5-7-15/h3-7,11,13H,2,8-10H2,1H3/b12-11-
InChIKey QELFMJCDXHGTTB-QXMHVHEDSA-N
Molecular Weight 262.367 g/mol
SMILES C1(\C(=C/S(=O)c2ccccc2)CC)CC(=O)CC1
SPLASH splash10-0a7l-9300000000-22b0c96322aa607176a4
Source of Spectrum C-110-5419-36
Synonyms (1'RS,2'E,3RS,RSSS) (E)-[1'-methyl-3'-(phenylsulfinyl)-prop-2'-enyl]cyclopentanone 3-[(Z)-1-ethyl-2-(phenylsulfinyl)ethenyl]cyclopentanone
Wiley ID 1265777