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1,5-Hexanedione, 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
SpectraBase Compound ID At3huGxHF3Q
InChI InChI=1S/C17H24O2S2/c1-13(18)7-5-10-16(19)14-8-3-4-9-15(14)17(2)20-11-6-12-21-17/h3-4,8-9,14-15H,5-7,10-12H2,1-2H3/t14-,15-/m0/s1
InChIKey AZPCQVNYZMLAII-GJZGRUSLSA-N
Mol Weight 324.5 g/mol
Molecular Formula C17H24O2S2
Exact Mass 324.121772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrtyDS8zMRh
Name 1,5-Hexanedione, 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
CAS Registry Number 129296-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2S2
InChI InChI=1S/C17H24O2S2/c1-13(18)7-5-10-16(19)14-8-3-4-9-15(14)17(2)20-11-6-12-21-17/h3-4,8-9,14-15H,5-7,10-12H2,1-2H3/t14-,15-/m0/s1
InChIKey AZPCQVNYZMLAII-GJZGRUSLSA-N
Molecular Weight 324.497 g/mol
SMILES C1([C@@]2([C@@](C(=O)CCCC(=O)C)(C=CC=C2)[H])[H])(SCCCS1)C
SPLASH splash10-001i-2900000000-16f812f54d92f2bccc5a
Source of Spectrum H-73-402-29
Synonyms 1-[(1S,6S)-6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-1,5-hexanedione 1-[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]hexane-1,5-dione
Wiley ID 1323089