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2-butan-2-yl-6,6-bis(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one
SpectraBase Compound ID AAfST6bpqix
InChI InChI=1S/C14H22OS2/c1-5-11(2)12-7-6-8-14(9-16-3,10-17-4)13(12)15/h6-8,11H,5,9-10H2,1-4H3
InChIKey JSWADJOOWDFBLN-UHFFFAOYSA-N
Mol Weight 270.45 g/mol
Molecular Formula C14H22OS2
Exact Mass 270.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwDoi0TOaLs
Name 2-butan-2-yl-6,6-bis(methylsulfanylmethyl)cyclohexa-2,4-dien-1-one
Alternate Name(s) 2-butan-2-yl-6,6-bis[(methylthio)methyl]-1-cyclohexa-2,4-dienone 6,6-bis(methylsulfanylmethyl)-2-sec-butyl-cyclohexa-2,4-dien-1-one 6,6-bis[(methylthio)methyl]-2-sec-butyl-cyclohexa-2,4-dien-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H22OS2
InChI InChI=1S/C14H22OS2/c1-5-11(2)12-7-6-8-14(9-16-3,10-17-4)13(12)15/h6-8,11H,5,9-10H2,1-4H3
InChIKey JSWADJOOWDFBLN-UHFFFAOYSA-N
Molecular Weight 270.449 g/mol
SMILES C1(C(=CC=CC1(CSC)CSC)C(CC)C)=O
SPLASH splash10-03di-9010000000-39295e30608bd3e08026
Source of Spectrum E1-41-442-4
Wiley ID 1551964