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3-(Dodecylthio)-3-methylcyclohexan-1-one
SpectraBase Compound ID LhfbbqTfUjv
InChI InChI=1S/C19H36OS/c1-3-4-5-6-7-8-9-10-11-12-16-21-19(2)15-13-14-18(20)17-19/h3-17H2,1-2H3
InChIKey YUAAJXSWNHVLAM-UHFFFAOYSA-N
Mol Weight 312.6 g/mol
Molecular Formula C19H36OS
Exact Mass 312.248687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeqL4mBLg1V
Name 3-(Dodecylthio)-3-methylcyclohexan-1-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36OS
InChI InChI=1S/C19H36OS/c1-3-4-5-6-7-8-9-10-11-12-16-21-19(2)15-13-14-18(20)17-19/h3-17H2,1-2H3
InChIKey YUAAJXSWNHVLAM-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 312.556 g/mol
SMILES C(CCCCCCCCCCC)SC1(CC(CCC1)=O)C
SPLASH splash10-03e9-9400000000-9f546bba59bc3fc69895
Source of Spectrum EP3533786A1
Wiley ID 1874960