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3-Acetyl-2-methyl-5-(4-methylbenzoyl)-4-phenylthiophene
SpectraBase Compound ID C8KXc8OVQDB
InChI InChI=1S/C21H18O2S/c1-13-9-11-17(12-10-13)20(23)21-19(16-7-5-4-6-8-16)18(14(2)22)15(3)24-21/h4-12H,1-3H3
InChIKey CPKPDTYDIXUSFC-UHFFFAOYSA-N
Mol Weight 334.43 g/mol
Molecular Formula C21H18O2S
Exact Mass 334.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcIG06dgbfI
Name 3-Acetyl-2-methyl-5-(4-methylbenzoyl)-4-phenylthiophene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.102750992 u
Formula C21H18O2S
InChI InChI=1S/C21H18O2S/c1-13-9-11-17(12-10-13)20(23)21-19(16-7-5-4-6-8-16)18(14(2)22)15(3)24-21/h4-12H,1-3H3
InChIKey CPKPDTYDIXUSFC-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 334.433 g/mol
Quality 458
SMILES C=1(SC(=C(C1C1=CC=CC=C1)C(=O)C)C)C(C1=CC=C(C=C1)C)=O
SPLASH splash10-015c-8639000000-5da310601ddb642cca8a
Source of Spectrum K1-2018-3007-4f (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891776