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3-Buten-1-one, 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
SpectraBase Compound ID I7QoIToWpX7
InChI InChI=1S/C15H20OS2/c1-3-7-14(16)12-8-4-5-9-13(12)15(2)17-10-6-11-18-15/h3-5,8-9,12-13H,1,6-7,10-11H2,2H3/t12-,13-/m0/s1
InChIKey OWMPNYRIMJIOJQ-STQMWFEESA-N
Mol Weight 280.44 g/mol
Molecular Formula C15H20OS2
Exact Mass 280.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jzqyFAgnoi
Name 3-Buten-1-one, 1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
Alternate Name(s) 1-[(1S,6S)-6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-3-buten-1-one 1-[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]but-3-en-1-one 1-[6-(2-mmethyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]but-3-en-1-one
CAS Registry Number 129296-14-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS2
InChI InChI=1S/C15H20OS2/c1-3-7-14(16)12-8-4-5-9-13(12)15(2)17-10-6-11-18-15/h3-5,8-9,12-13H,1,6-7,10-11H2,2H3/t12-,13-/m0/s1
InChIKey OWMPNYRIMJIOJQ-STQMWFEESA-N
Molecular Weight 280.444 g/mol
SMILES C1([C@@]2([C@@](C(=O)CC=C)(C=CC=C2)[H])[H])(SCCCS1)C
SPLASH splash10-053r-5900000000-816d65ca47131c55632e
Source of Spectrum H-73-400-18
Wiley ID 1283738