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Cyclopentanone, 3-(1,1-dimethylethoxy)-4-[1,1-dimethyl-3-(phenylthio)-2-propenyl]-, [1.alpha.,2.beta.(E)]-(.+-.)-
SpectraBase Compound ID 8hFLfbxoB1m
InChI InChI=1S/C20H28O2S/c1-19(2,3)22-18-14-15(21)13-17(18)20(4,5)11-12-23-16-9-7-6-8-10-16/h6-12,17-18H,13-14H2,1-5H3/b12-11+
InChIKey UWPXTHSCDZWAPE-VAWYXSNFSA-N
Mol Weight 332.5 g/mol
Molecular Formula C20H28O2S
Exact Mass 332.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVFEmkN4JqK
Name Cyclopentanone, 3-(1,1-dimethylethoxy)-4-[1,1-dimethyl-3-(phenylthio)-2-propenyl]-, [1.alpha.,2.beta.(E)]-(.+-.)-
CAS Registry Number 114678-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2S
InChI InChI=1S/C20H28O2S/c1-19(2,3)22-18-14-15(21)13-17(18)20(4,5)11-12-23-16-9-7-6-8-10-16/h6-12,17-18H,13-14H2,1-5H3/b12-11+
InChIKey UWPXTHSCDZWAPE-VAWYXSNFSA-N
Molecular Weight 332.502 g/mol
SMILES C1(C(C(\C=C\Sc2ccccc2)(C)C)CC(C1)=O)OC(C)(C)C
SPLASH splash10-056r-6910000000-52d9f24cc3f88189edcf
Source of Spectrum C-110-5419-64
Synonyms (2'E,3RS,4SR)-3-(1,1-dimethylethoxy)-4[1',1'-dimethyl-3'-(phenylthio)prop-2'-enyl]cyclopentanone 3-tert-Butoxy-4-[(2E)-1,1-dimethyl-3-(phenylsulfanyl)-2-propenyl]cyclopentanone
Wiley ID 1329562