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5-Benzoyl-3-(4'-methoxybenzoyl)-2-(phenacylthio)thiophene
SpectraBase Compound ID Evn7atPK5i0
InChI InChI=1S/C27H20O4S2/c1-31-21-14-12-20(13-15-21)25(29)22-16-24(26(30)19-10-6-3-7-11-19)33-27(22)32-17-23(28)18-8-4-2-5-9-18/h2-16H,17H2,1H3
InChIKey HWKHRMRCXMWRFC-UHFFFAOYSA-N
Mol Weight 472.57 g/mol
Molecular Formula C27H20O4S2
Exact Mass 472.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEhrcfJUlgd
Name 5-Benzoyl-3-(4'-methoxybenzoyl)-2-(phenacylthio)thiophene
Alternate Name(s) 2-{[5-benzoyl-3-(4-methoxybenzoyl)-2-thienyl]sulfanyl}-1-phenylethanone
CAS Registry Number 138696-67-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20O4S2
InChI InChI=1S/C27H20O4S2/c1-31-21-14-12-20(13-15-21)25(29)22-16-24(26(30)19-10-6-3-7-11-19)33-27(22)32-17-23(28)18-8-4-2-5-9-18/h2-16H,17H2,1H3
InChIKey HWKHRMRCXMWRFC-UHFFFAOYSA-N
Molecular Weight 472.573 g/mol
SMILES c1(c(sc(c1)C(=O)c1ccccc1)SCC(=O)c1ccccc1)C(c1ccc(cc1)OC)=O
SPLASH splash10-0a4i-0900000000-bbb10426dbebe5969331
Source of Spectrum U-1992-392-7
Wiley ID 764203