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Cyclohexanone, 2-[(butylthio)methylene]-4-(1,1-dimethylethyl)-
SpectraBase Compound ID 7mC8o5FJcER
InChI InChI=1S/C15H26OS/c1-12(9-10-15(2,3)4)17-11-13-7-5-6-8-14(13)16/h11-12H,5-10H2,1-4H3/b13-11+
InChIKey LRQYBCWOOCZZCX-ACCUITESSA-N
Mol Weight 254.43 g/mol
Molecular Formula C15H26OS
Exact Mass 254.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65Mf5iJ8Hz8
Name Cyclohexanone, 2-[(butylthio)methylene]-4-(1,1-dimethylethyl)-
Alternate Name(s) (2E)-2-{[(1,4,4-trimethylpentyl)sulfanyl]methylene}cyclohexanone 4-t-butyl-2-butylthiomethylenecyclohexanone
CAS Registry Number 69217-94-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26OS
InChI InChI=1S/C15H26OS/c1-12(9-10-15(2,3)4)17-11-13-7-5-6-8-14(13)16/h11-12H,5-10H2,1-4H3/b13-11+
InChIKey LRQYBCWOOCZZCX-ACCUITESSA-N
Molecular Weight 254.432 g/mol
SMILES C(S\C=C\1C(=O)CCCC1)(CCC(C)(C)C)C
SPLASH splash10-0002-4910000000-2d772e37930e6911ec24
Source of Spectrum B-31-883-0
Wiley ID 1257916