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3-Acetyl-5-(4-chlorobenzoyl)-2-methyl-4-(4-methylphenyl)thiophene
SpectraBase Compound ID DnUwR62zXSH
InChI InChI=1S/C21H17ClO2S/c1-12-4-6-15(7-5-12)19-18(13(2)23)14(3)25-21(19)20(24)16-8-10-17(22)11-9-16/h4-11H,1-3H3
InChIKey OJDYMSSAVQLYBN-UHFFFAOYSA-N
Mol Weight 368.88 g/mol
Molecular Formula C21H17ClO2S
Exact Mass 368.063779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TSoqyEe1DB
Name 3-Acetyl-5-(4-chlorobenzoyl)-2-methyl-4-(4-methylphenyl)thiophene
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.063778659 u
Formula C21H17ClO2S
InChI InChI=1S/C21H17ClO2S/c1-12-4-6-15(7-5-12)19-18(13(2)23)14(3)25-21(19)20(24)16-8-10-17(22)11-9-16/h4-11H,1-3H3
InChIKey OJDYMSSAVQLYBN-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 368.878 g/mol
Quality 367
SMILES C=1(SC(=C(C1C1=CC=C(C=C1)C)C(=O)C)C)C(C1=CC=C(C=C1)Cl)=O
SPLASH splash10-000i-1904000000-729db0cb96095bde78d3
Source of Spectrum K1-2018-3008-4j (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891780