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2,4-Cyclohexadiene-1-pentanoic acid, 6-(2-methyl-1,3-dithian-2-yl)-.delta.-oxo-, methyl ester, trans-
SpectraBase Compound ID AmxuWprULgD
InChI InChI=1S/C17H24O3S2/c1-17(21-11-6-12-22-17)14-8-4-3-7-13(14)15(18)9-5-10-16(19)20-2/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/t13-,14-/m0/s1
InChIKey SNUYKYCTTLFGKK-KBPBESRZSA-N
Mol Weight 340.5 g/mol
Molecular Formula C17H24O3S2
Exact Mass 340.116687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjwdLiooIfB
Name 2,4-Cyclohexadiene-1-pentanoic acid, 6-(2-methyl-1,3-dithian-2-yl)-.delta.-oxo-, methyl ester, trans-
Alternate Name(s) Methyl 4-{[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]carbonyl}butyrate Methyl 5-[(1S,6S)-6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-5-oxopentanoate
CAS Registry Number 129296-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3S2
InChI InChI=1S/C17H24O3S2/c1-17(21-11-6-12-22-17)14-8-4-3-7-13(14)15(18)9-5-10-16(19)20-2/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/t13-,14-/m0/s1
InChIKey SNUYKYCTTLFGKK-KBPBESRZSA-N
Molecular Weight 340.496 g/mol
SMILES C1([C@@]2([C@@](C(=O)CCCC(=O)OC)(C=CC=C2)[H])[H])(SCCCS1)C
SPLASH splash10-001i-1912000000-1c64383f8735c8b6bec8
Source of Spectrum H-73-402-28
Wiley ID 1335003