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4-Penten-1-one, 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
SpectraBase Compound ID Kv8vBOLRI88
InChI InChI=1S/C16H22OS2/c1-3-4-10-15(17)13-8-5-6-9-14(13)16(2)18-11-7-12-19-16/h3,5-6,8-9,13-14H,1,4,7,10-12H2,2H3
InChIKey MPHDPGKWAJGUEA-UHFFFAOYSA-N
Mol Weight 294.47 g/mol
Molecular Formula C16H22OS2
Exact Mass 294.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vhKSiwPIH4
Name 4-Penten-1-one, 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
CAS Registry Number 129296-17-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS2
InChI InChI=1S/C16H22OS2/c1-3-4-10-15(17)13-8-5-6-9-14(13)16(2)18-11-7-12-19-16/h3,5-6,8-9,13-14H,1,4,7,10-12H2,2H3
InChIKey MPHDPGKWAJGUEA-UHFFFAOYSA-N
Molecular Weight 294.471 g/mol
SMILES C1(C2C(C(=O)CCC=C)C=CC=C2)(SCCCS1)C
SPLASH splash10-001i-1910000000-80e45f33143c9486a26b
Source of Spectrum H-73-401-21
Synonyms 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-4-penten-1-one 1-[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]pent-4-en-1-one
Wiley ID 1297092