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2,2'-(1,4-phenylene)bis(3-benzoyl-4,5-diphenylthiophene)
SpectraBase Compound ID tHW7pkZOYf
InChI InChI=1S/C52H34O2S2/c53-47(37-23-11-3-12-24-37)45-43(35-19-7-1-8-20-35)49(39-27-15-5-16-28-39)55-51(45)41-31-33-42(34-32-41)52-46(48(54)38-25-13-4-14-26-38)44(36-21-9-2-10-22-36)50(56-52)40-29-17-6-18-30-40/h1-34H
InChIKey SMCVCNBAXLOVLD-UHFFFAOYSA-N
Mol Weight 755.0 g/mol
Molecular Formula C52H34O2S2
Exact Mass 754.200023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkC33bogM8Q
Name 2,2'-(1,4-phenylene)bis(3-benzoyl-4,5-diphenylthiophene)
Alternate Name(s) {2-[4-(3-benzoyl-4,5-diphenyl-2-thienyl)phenyl]-4,5-diphenyl-3-thienyl}(phenyl)methanone
CAS Registry Number 110699-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H34O2S2
InChI InChI=1S/C52H34O2S2/c53-47(37-23-11-3-12-24-37)45-43(35-19-7-1-8-20-35)49(39-27-15-5-16-28-39)55-51(45)41-31-33-42(34-32-41)52-46(48(54)38-25-13-4-14-26-38)44(36-21-9-2-10-22-36)50(56-52)40-29-17-6-18-30-40/h1-34H
InChIKey SMCVCNBAXLOVLD-UHFFFAOYSA-N
Molecular Weight 754.962 g/mol
SMILES c1(c(c(-c2ccccc2)sc1-c1ccc(-c2c(c(-c3ccccc3)c(s2)-c2ccccc2)C(=O)c2ccccc2)cc1)-c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a4i-3900000800-dfea9ed87f472ba54b43
Source of Spectrum K-121-321-19
Wiley ID 1416416