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2-Benzoyl-3-phenyl-6,7-dihydro-1-benzothiophen-4(5H)-one
SpectraBase Compound ID LkqbHKrYM9B
InChI InChI=1S/C21H16O2S/c22-16-12-7-13-17-19(16)18(14-8-3-1-4-9-14)21(24-17)20(23)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey AJKFRDXSQQKUAY-UHFFFAOYSA-N
Mol Weight 332.42 g/mol
Molecular Formula C21H16O2S
Exact Mass 332.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oDyqCJZ75g
Name 2-Benzoyl-3-phenyl-6,7-dihydro-1-benzothiophen-4(5H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.087100927 u
Formula C21H16O2S
InChI InChI=1S/C21H16O2S/c22-16-12-7-13-17-19(16)18(14-8-3-1-4-9-14)21(24-17)20(23)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey AJKFRDXSQQKUAY-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 332.417 g/mol
Quality 341
SMILES C=1(SC2=C(C1C=1C=CC=CC1)C(CCC2)=O)C(C1=CC=CC=C1)=O
SPLASH splash10-003r-3419000000-cb11d8bb386db7f1a4cb
Source of Spectrum K1-2018-3009-4aa (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891724