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2-Methyl-1-(thiophen-2-yl)butan-1-one
SpectraBase Compound ID L8jeizPx5qW
InChI InChI=1S/C9H12OS/c1-3-7(2)9(10)8-5-4-6-11-8/h4-7H,3H2,1-2H3
InChIKey VIIOLWYAAMKHDR-UHFFFAOYSA-N
Mol Weight 168.25 g/mol
Molecular Formula C9H12OS
Exact Mass 168.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbjB3KE95Xg
Name 2-Methyl-1-(thiophen-2-yl)butan-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.060886179 u
Formula C9H12OS
InChI InChI=1S/C9H12OS/c1-3-7(2)9(10)8-5-4-6-11-8/h4-7H,3H2,1-2H3
InChIKey VIIOLWYAAMKHDR-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 168.254 g/mol
Quality 116
SMILES C(=O)(C(C)CC)C=1SC=CC1
SPLASH splash10-03di-0900000000-987b9036d47e35ef743f
Source of Spectrum QE-27-SM35-2u (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.30 (hexane/i-PrO2, 95:5)
Wiley ID 1902319