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2-Benzoyl-3-(4-methoxyphenyl)-6,7-dihydro-1-benzothiophen-4(5H)-one
SpectraBase Compound ID H0DKmGpdiMP
InChI InChI=1S/C22H18O3S/c1-25-16-12-10-14(11-13-16)19-20-17(23)8-5-9-18(20)26-22(19)21(24)15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKey AVUOACAIADGXOZ-UHFFFAOYSA-N
Mol Weight 362.44 g/mol
Molecular Formula C22H18O3S
Exact Mass 362.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VChJkt9Ojy
Name 2-Benzoyl-3-(4-methoxyphenyl)-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 362.097665611 u
Formula C22H18O3S
InChI InChI=1S/C22H18O3S/c1-25-16-12-10-14(11-13-16)19-20-17(23)8-5-9-18(20)26-22(19)21(24)15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKey AVUOACAIADGXOZ-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 362.443 g/mol
Quality 234
SMILES C=1(SC2=C(C1C=1C=CC(=CC1)OC)C(CCC2)=O)C(C1=CC=CC=C1)=O
SPLASH splash10-0a4i-6922000000-14dd8cea0e16a22776af
Source of Spectrum K1-2018-3009-4ac (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891741