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4-Phenylsulfanyl-heptan-2-one

View entire compound with spectra: 1 MS (GC)

4-Phenylsulfanyl-heptan-2-one
SpectraBase Compound ID garNJVnpWB
InChI InChI=1S/C13H18OS/c1-3-7-13(10-11(2)14)15-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3
InChIKey JZHBPPBSCLUWOM-UHFFFAOYSA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nzd0OPRZY
Name 4-Phenylsulfanyl-heptan-2-one
Alternate Name(s) 4-(Phenylthio)heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-3-7-13(10-11(2)14)15-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3
InChIKey JZHBPPBSCLUWOM-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c1gc15790f
Molecular Weight 222.346 g/mol
SMILES C(CC)C(CC(C)=O)Sc1ccccc1
SPLASH splash10-01vo-7950000000-04d404b7c68aa2716ab3
Source of Spectrum GCH-13-3181/SMS9-19
Wiley ID 1760691