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2-Benzoyl-3-(4-chlorophenyl)-6,7-dihydro-1-benzothiophen-4(5H)-one
SpectraBase Compound ID EvxFDaE3LzH
InChI InChI=1S/C21H15ClO2S/c22-15-11-9-13(10-12-15)18-19-16(23)7-4-8-17(19)25-21(18)20(24)14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8H2
InChIKey ZGZVPQUFXZOUMI-UHFFFAOYSA-N
Mol Weight 366.86 g/mol
Molecular Formula C21H15ClO2S
Exact Mass 366.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12Kju9cBTk
Name 2-Benzoyl-3-(4-chlorophenyl)-6,7-dihydro-1-benzothiophen-4(5H)-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClO2S
InChI InChI=1S/C21H15ClO2S/c22-15-11-9-13(10-12-15)18-19-16(23)7-4-8-17(19)25-21(18)20(24)14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8H2
InChIKey ZGZVPQUFXZOUMI-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 366.862 g/mol
Quality 349
SMILES C=1(SC2=C(C1C=1C=CC(=CC1)Cl)C(CCC2)=O)C(C1=CC=CC=C1)=O
SPLASH splash10-0690-4419000000-80e0d46aa6aa1fabf5ef
Source of Spectrum K1-2018-3010-4ae (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891744