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Ethyl {5'-[1",1"-dimethyl-3"-(phenylsulfinyl)prop-2"-enyl]-2'-oxocyclopentyl}acetate
SpectraBase Compound ID HG4kn7mFV8n
InChI InChI=1S/C20H26O4S/c1-4-24-19(22)14-16-17(10-11-18(16)21)20(2,3)12-13-25(23)15-8-6-5-7-9-15/h5-9,12-13,16-17H,4,10-11,14H2,1-3H3/b13-12+
InChIKey GBNJZIMIIVREHC-OUKQBFOZSA-N
Mol Weight 362.48 g/mol
Molecular Formula C20H26O4S
Exact Mass 362.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HSLlhysZrk
Name Ethyl {5'-[1",1"-dimethyl-3"-(phenylsulfinyl)prop-2"-enyl]-2'-oxocyclopentyl}acetate
CAS Registry Number 126386-08-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4S
InChI InChI=1S/C20H26O4S/c1-4-24-19(22)14-16-17(10-11-18(16)21)20(2,3)12-13-25(23)15-8-6-5-7-9-15/h5-9,12-13,16-17H,4,10-11,14H2,1-3H3/b13-12+
InChIKey GBNJZIMIIVREHC-OUKQBFOZSA-N
Molecular Weight 362.484 g/mol
SMILES C1(C(C(\C=C\S(=O)c2ccccc2)(C)C)CCC1=O)CC(=O)OCC
SPLASH splash10-004j-0900000000-2dce8e7d9a169cb29dcb
Source of Spectrum B-42-1483-21
Synonyms Ethyl {2-[(2E)-1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-5-oxocyclopentyl}acetate
Wiley ID 1349571