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4'-(Methylthio)acetophenone
SpectraBase Compound ID Bk1saXFkUfy
InChI InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChIKey JECUZQLBQKNEMW-UHFFFAOYSA-N
Mol Weight 166.24 g/mol
Molecular Formula C9H10OS
Exact Mass 166.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56mJh3WORro
Name 4'-(methylthio)acetophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10OS
GC Column DB-5 MS fused silica (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 220oC
InChI InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChIKey JECUZQLBQKNEMW-UHFFFAOYSA-N
Instrument Name Shimadzu GC-17A-QP5050A or Shimadzu GC-2010-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102757
Molecular Weight 166.238 g/mol
Quality 739
SMILES C1(SC)=CC=C(C=C1)C(=O)C
SPLASH splash10-0uxr-5900000000-6e51088275e815f3cce8
Source of Spectrum QE-27-SM35-35-1 (DOI: 10.1002/chem.202102757)
Wiley ID 1904152