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4-(Butylthio)-4-phenylbutan-2-one

View entire compound with spectra: 1 MS (GC)

4-(Butylthio)-4-phenylbutan-2-one
SpectraBase Compound ID E4K3cQUS1j4
InChI InChI=1S/C14H20OS/c1-3-4-10-16-14(11-12(2)15)13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3
InChIKey SZZRYBCJFHCWON-UHFFFAOYSA-N
Mol Weight 236.37 g/mol
Molecular Formula C14H20OS
Exact Mass 236.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1I5sd1LGiGu
Name 4-(Butylthio)-4-phenylbutan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-3-4-10-16-14(11-12(2)15)13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3
InChIKey SZZRYBCJFHCWON-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c1gc16088e
Molecular Weight 236.373 g/mol
SMILES c1cc(ccc1)C(CC(C)=O)SCCCC
SPLASH splash10-0006-9830000000-0b74fed2bcee341f40db
Source of Spectrum GCH-14-164/SMS9-15
Wiley ID 1760698