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2-Butan-2-yl-6-(methylsulfanylmethyl)-6-prop-2-enyl-cyclohexa-2,4-dien-1-one
SpectraBase Compound ID 2RCDfn5TNr
InChI InChI=1S/C15H22OS/c1-5-9-15(11-17-4)10-7-8-13(14(15)16)12(3)6-2/h5,7-8,10,12H,1,6,9,11H2,2-4H3
InChIKey UPLXWCIAJJRFRV-UHFFFAOYSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwjpsoYdsgX
Name 2-Butan-2-yl-6-(methylsulfanylmethyl)-6-prop-2-enyl-cyclohexa-2,4-dien-1-one
Alternate Name(s) 2-Butan-2-yl-6-[(methylthio)methyl]-6-prop-2-enyl-1-cyclohexa-2,4-dienone 6-Allyl-6-(methylsulfanylmethyl)-2-sec-butyl-cyclohexa-2,4-dien-1-one 6-Allyl-6-[(methylthio)methyl]-2-sec-butyl-cyclohexa-2,4-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-5-9-15(11-17-4)10-7-8-13(14(15)16)12(3)6-2/h5,7-8,10,12H,1,6,9,11H2,2-4H3
InChIKey UPLXWCIAJJRFRV-UHFFFAOYSA-N
Molecular Weight 250.400 g/mol
SMILES C1(C(=CC=CC1(CSC)CC=C)C(CC)C)=O
SPLASH splash10-03di-9020000000-b0927d7f84f74e08d6ff
Source of Spectrum E1-41-441-3
Wiley ID 1551856