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5-Methylsulfanyl-1-phenylpentan-1-one
SpectraBase Compound ID CrywBqNm3Qk
InChI InChI=1S/C12H16OS/c1-14-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey MFQAGRPJTXSWSS-UHFFFAOYSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGBtx5zyfJD
Name 5-Methylsulfanyl-1-phenylpentan-1-one
Alternate Name(s) 5-(methylthio)-1-phenyl-1-pentanone 5-Methylsulfanyl-1-phenyl-pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-14-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey MFQAGRPJTXSWSS-UHFFFAOYSA-N
Molecular Weight 208.319 g/mol
SMILES C(CCCCSC)(=O)c1ccccc1
SPLASH splash10-0bvi-5910000000-c05eabc1c0d92f31d00b
Source of Spectrum KC-0-2183-4
Wiley ID 825915