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3-Penten-1-one, 4-methyl-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
SpectraBase Compound ID 9EUv8TFRCWn
InChI InChI=1S/C17H24OS2/c1-13(2)9-10-16(18)14-7-4-5-8-15(14)17(3)19-11-6-12-20-17/h4-5,7-9,14-15H,6,10-12H2,1-3H3/t14-,15-/m0/s1
InChIKey CHJATGWGGLCRBB-GJZGRUSLSA-N
Mol Weight 308.5 g/mol
Molecular Formula C17H24OS2
Exact Mass 308.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qAGLCoGdw0
Name 3-Penten-1-one, 4-methyl-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
CAS Registry Number 129296-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24OS2
InChI InChI=1S/C17H24OS2/c1-13(2)9-10-16(18)14-7-4-5-8-15(14)17(3)19-11-6-12-20-17/h4-5,7-9,14-15H,6,10-12H2,1-3H3/t14-,15-/m0/s1
InChIKey CHJATGWGGLCRBB-GJZGRUSLSA-N
Molecular Weight 308.498 g/mol
SMILES C1([C@@]2([C@@](C(CC=C(C)C)=O)(C=CC=C2)[H])[H])(SCCCS1)C
SPLASH splash10-0kcr-1950000000-122169b2878359f3930f
Source of Spectrum H-73-401-20
Synonyms 4-Methyl-1-[(1S,6S)-6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-3-penten-1-one 4-Methyl-1-[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]pent-3-en-1-one
Wiley ID 1309752