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2-Propanone, 1-(2-methylenecyclohexyl)-1-(phenylthio)-
SpectraBase Compound ID 704t6H3pd2Z
InChI InChI=1S/C16H20OS/c1-12-8-6-7-11-15(12)16(13(2)17)18-14-9-4-3-5-10-14/h3-5,9-10,15-16H,1,6-8,11H2,2H3
InChIKey SIDVDDPKVVPCHT-UHFFFAOYSA-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 3gZIADXPdf0
Name 2-Propanone, 1-(2-methylenecyclohexyl)-1-(phenylthio)-
CAS Registry Number 67428-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-12-8-6-7-11-15(12)16(13(2)17)18-14-9-4-3-5-10-14/h3-5,9-10,15-16H,1,6-8,11H2,2H3
InChIKey SIDVDDPKVVPCHT-UHFFFAOYSA-N
Molecular Weight 260.395 g/mol
SMILES C(C1C(=C)CCCC1)(Sc1ccccc1)C(=O)C
SPLASH splash10-0zor-6910000000-c9cc13baa6a693f68119
Source of Spectrum C-100-3431-0
Synonyms 1-(2'-Acetylphenylthioethyl)cyclohexene and 2-(acetylphenylthiomethyl)methylene-cyclohexane 1-(2-Methylenecyclohexyl)-1-(phenylsulfanyl)acetone
Wiley ID 1263955