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2-(4-Methoxybenzoyl)-6,6-dimethyl-3-phenyl-6,7-dihydro-1-benzothiophen-4(5H)-one
SpectraBase Compound ID 4mnNTwCJOkI
InChI InChI=1S/C24H22O3S/c1-24(2)13-18(25)21-19(14-24)28-23(20(21)15-7-5-4-6-8-15)22(26)16-9-11-17(27-3)12-10-16/h4-12H,13-14H2,1-3H3
InChIKey FHMCQBGJHLXSFC-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C24H22O3S
Exact Mass 390.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FAMB1Io6a
Name 2-(4-Methoxybenzoyl)-6,6-dimethyl-3-phenyl-6,7-dihydro-1-benzothiophen-4(5H)-one
Appearance White crystals
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Exact Mass 390.128965739 u
Formula C24H22O3S
InChI InChI=1S/C24H22O3S/c1-24(2)13-18(25)21-19(14-24)28-23(20(21)15-7-5-4-6-8-15)22(26)16-9-11-17(27-3)12-10-16/h4-12H,13-14H2,1-3H3
InChIKey FHMCQBGJHLXSFC-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 390.497 g/mol
Quality 422
SMILES C1=2SC(=C(C2C(CC(C1)(C)C)=O)C1=CC=CC=C1)C(C1=CC=C(C=C1)OC)=O
SPLASH splash10-000f-4809000000-4dc3b2df25f31d374d43
Source of Spectrum K1-2018-3011-4am (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891752