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2-(Butylthio)-1-phenylethanone
SpectraBase Compound ID EXGI4MI77DS
InChI InChI=1S/C12H16OS/c1-2-3-9-14-10-12(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey HCFDKQCIJODUNE-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 2Hhna4M89tU
Name 2-(Butylthio)-1-phenylethanone
Alternate Name(s) 2-Butylsulfanyl-1-phenylethanone 2-Butylsulfanyl-1-phenyl-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-2-3-9-14-10-12(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey HCFDKQCIJODUNE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo401851m
Molecular Weight 208.319 g/mol
SMILES c1ccc(C(=O)CSCCCC)cc1
SPLASH splash10-0a4i-0910000000-7de3b13f32ee1a25db9f
Source of Spectrum J-78-10425-4ai
Wiley ID 1747286