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3-Octanone, 7-methyl-4-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

3-Octanone, 7-methyl-4-(phenylthio)-
SpectraBase Compound ID 3tKzqmDPMb5
InChI InChI=1S/C15H22OS/c1-4-14(16)15(11-10-12(2)3)17-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3
InChIKey PREBYINLLFXKFB-UHFFFAOYSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YyTD6NGWke
Name 3-Octanone, 7-methyl-4-(phenylthio)-
Alternate Name(s) 7-Methyl-4-(phenylthio)-3-octanone 7-Methyl-4-phenylsulfanyloctan-3-one 7-Methyl-4-phenylsulfanyl-octan-3-one
CAS Registry Number 88065-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-4-14(16)15(11-10-12(2)3)17-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3
InChIKey PREBYINLLFXKFB-UHFFFAOYSA-N
Molecular Weight 250.400 g/mol
SMILES C(Sc1ccccc1)(C(=O)CC)CCC(C)C
SPLASH splash10-001l-7910000000-aa6da5f31ef7414e3630
Source of Spectrum KC-1985-1241-29
Wiley ID 1253528