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2-Benzoyl-3-(4-methoxyphenyl)-6,6-dimethyl-6,7-dihydro-1-benzothiophen-4(5H)-one
SpectraBase Compound ID 1oPfscaq7sp
InChI InChI=1S/C24H22O3S/c1-24(2)13-18(25)21-19(14-24)28-23(22(26)16-7-5-4-6-8-16)20(21)15-9-11-17(27-3)12-10-15/h4-12H,13-14H2,1-3H3
InChIKey RVXONHZUHRQWCZ-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 Ei8fp2xLcC9
Name 2-Benzoyl-3-(4-methoxyphenyl)-6,6-dimethyl-6,7-dihydro-1-benzothiophen-4(5H)-one
Appearance Pale-yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.128965739 u
Formula C24H22O3S
InChI InChI=1S/C24H22O3S/c1-24(2)13-18(25)21-19(14-24)28-23(22(26)16-7-5-4-6-8-16)20(21)15-9-11-17(27-3)12-10-15/h4-12H,13-14H2,1-3H3
InChIKey RVXONHZUHRQWCZ-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 390.497 g/mol
Quality 362
SMILES C1=2SC(=C(C2C(CC(C1)(C)C)=O)C=1C=CC(=CC1)OC)C(C1=CC=CC=C1)=O
SPLASH splash10-052f-3409000000-d71e135b3952ef925ac1
Source of Spectrum K1-2018-3010-4ai (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891748