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6-Hepten-1-one, 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
SpectraBase Compound ID 7nkA3JUiZkR
InChI InChI=1S/C18H26OS2/c1-3-4-5-6-12-17(19)15-10-7-8-11-16(15)18(2)20-13-9-14-21-18/h3,7-8,10-11,15-16H,1,4-6,9,12-14H2,2H3
InChIKey NYRREEJZWBQYTH-UHFFFAOYSA-N
Mol Weight 322.53 g/mol
Molecular Formula C18H26OS2
Exact Mass 322.142508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VZdCmQfAw1
Name 6-Hepten-1-one, 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
CAS Registry Number 129296-18-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26OS2
InChI InChI=1S/C18H26OS2/c1-3-4-5-6-12-17(19)15-10-7-8-11-16(15)18(2)20-13-9-14-21-18/h3,7-8,10-11,15-16H,1,4-6,9,12-14H2,2H3
InChIKey NYRREEJZWBQYTH-UHFFFAOYSA-N
Molecular Weight 322.525 g/mol
SMILES C1(C2C(C(=O)CCCCC=C)C=CC=C2)(SCCCS1)C
SPLASH splash10-001i-1900000000-a60a69de3125f898faad
Source of Spectrum H-73-401-22
Synonyms 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-6-hepten-1-one 1-[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]heot-6-en-1-one
Wiley ID 1321682