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3-Heptanone, 6-methyl-4-(phenylthio)-
SpectraBase Compound ID J2zigcDEGq0
InChI InChI=1S/C14H20OS/c1-4-13(15)14(10-11(2)3)16-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3
InChIKey RITJXXZGTISTDS-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 6TUG5iyP64U
Name 3-Heptanone, 6-methyl-4-(phenylthio)-
Alternate Name(s) 6-Methyl-4-(phenylsulfanyl)-3-heptanone 6-Methyl-4-phenylthioheptan-3-one
CAS Registry Number 98711-90-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-4-13(15)14(10-11(2)3)16-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3
InChIKey RITJXXZGTISTDS-UHFFFAOYSA-N
Molecular Weight 236.373 g/mol
SMILES C(Sc1ccccc1)(C(=O)CC)CC(C)C
SPLASH splash10-053i-8950000000-d0b7ed7840392cb96894
Source of Spectrum KC-1985-1241-23
Wiley ID 1238294