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2-Benzoyl-6,6-dimethyl-3-phenyl-6,7-dihydrobenzo[b]thiophen-4(5H)-one
SpectraBase Compound ID 2haohCbBK4w
InChI InChI=1S/C23H20O2S/c1-23(2)13-17(24)20-18(14-23)26-22(19(20)15-9-5-3-6-10-15)21(25)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKey JTYHZNIOWJKIMB-UHFFFAOYSA-N
Mol Weight 360.47 g/mol
Molecular Formula C23H20O2S
Exact Mass 360.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAhkieTCKQm
Name 2-Benzoyl-6,6-dimethyl-3-phenyl-6,7-dihydrobenzo[b]thiophen-4(5H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O2S
InChI InChI=1S/C23H20O2S/c1-23(2)13-17(24)20-18(14-23)26-22(19(20)15-9-5-3-6-10-15)21(25)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKey JTYHZNIOWJKIMB-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 360.471 g/mol
Quality 408
SMILES C1=2SC(=C(C2C(CC(C1)(C)C)=O)C=1C=CC=CC1)C(C1=CC=CC=C1)=O
SPLASH splash10-0a7i-9506000000-11fab49e4733a1fc17d6
Source of Spectrum K1-2018-3010-4ah (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891747