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4-methyl-1-(thiophen-2-yl)pentan-1-one
SpectraBase Compound ID 4psN7x9ZKiI
InChI InChI=1S/C10H14OS/c1-8(2)5-6-9(11)10-4-3-7-12-10/h3-4,7-8H,5-6H2,1-2H3
InChIKey SLPYXKSAIOZOQT-UHFFFAOYSA-N
Mol Weight 182.28 g/mol
Molecular Formula C10H14OS
Exact Mass 182.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XbbgmrHm16
Name 4-methyl-1-(thiophen-2-yl)pentan-1-one
Appearance Pale yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.076536244 u
Formula C10H14OS
InChI InChI=1S/C10H14OS/c1-8(2)5-6-9(11)10-4-3-7-12-10/h3-4,7-8H,5-6H2,1-2H3
InChIKey SLPYXKSAIOZOQT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201605139
Molecular Weight 182.281 g/mol
Quality 83
Reported Formula C10H14OS
SMILES CC(CCC(=O)C=1SC=CC1)C
SPLASH splash10-03di-0900000000-a9a46c2ced6f9df4a664
Source of Spectrum QE-23-SM36-10e (DOI: 10.1002/chem.201605139)
Thin-Layer Chromatography 0.48 (SiO2, i-hexane/EtOAc,19:1)
Wiley ID 1903800