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3-(CYCLOHEXYLTHIO)-2-METHYL-3-PHENYL-2-PROPENAL
SpectraBase Compound ID 5biNmRcwxSI
InChI InChI=1S/C16H20OS/c1-13(12-17)16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3/b16-13+
InChIKey WRGQMBGRXDGTIA-DTQAZKPQSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HneJqvNuQsv
Name 2-Propenal, 3-(cyclohexylthio)-2-methyl-3-phenyl-, (E)-
Alternate Name(s) (2E)-3-(cyclohexylsulfanyl)-2-methyl-3-phenyl-2-propenal 3-(cyclohexylthio)-2-methyl-3-phenyl-2-propenal
CAS Registry Number 130169-40-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-13(12-17)16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3/b16-13+
InChIKey WRGQMBGRXDGTIA-DTQAZKPQSA-N
Molecular Weight 260.395 g/mol
SMILES C(\C(=C/(SC1CCCCC1)c1ccccc1)C)=O
SPLASH splash10-004i-0910000000-799b4f3734d0407afa08
Source of Spectrum K-123-1373-8
Wiley ID 1263964