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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 5zuplhkQmJR
Name 2-(Butylthio)-1-phenylethan-1-one
Appearance Pale green oil
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
Instrument Name Agilent 7890
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.34
Molecular Weight 208.319 g/mol
SMILES c1cc(ccc1)C(=O)CSCCCC
SPLASH splash10-0a4i-3900000000-eb81ead75eea196d71be
Source of Spectrum BJO-15-SM6-2k
Wiley ID 1841001