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3-Acetyl-5-benzoyl-4-(4-chlorophenyl)-2-methylthiophene
SpectraBase Compound ID 5mBBnqHIdnh
InChI InChI=1S/C20H15ClO2S/c1-12(22)17-13(2)24-20(19(23)15-6-4-3-5-7-15)18(17)14-8-10-16(21)11-9-14/h3-11H,1-2H3
InChIKey RPAOCAJALQYWJX-UHFFFAOYSA-N
Mol Weight 354.85 g/mol
Molecular Formula C20H15ClO2S
Exact Mass 354.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cjlPMW2Uq
Name 3-Acetyl-5-benzoyl-4-(4-chlorophenyl)-2-methylthiophene
Appearance Pale-yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClO2S
InChI InChI=1S/C20H15ClO2S/c1-12(22)17-13(2)24-20(19(23)15-6-4-3-5-7-15)18(17)14-8-10-16(21)11-9-14/h3-11H,1-2H3
InChIKey RPAOCAJALQYWJX-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 354.851 g/mol
Quality 393
SMILES C=1(SC(=C(C1C1=CC=C(C=C1)Cl)C(=O)C)C)C(C1=CC=CC=C1)=O
SPLASH splash10-0a6r-8928000000-fc650a5847363ab947bd
Source of Spectrum K1-2018-3007-4e (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891775