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2,2'-(1,4-phenylene)bis(4-benzoyl-3,5-diphenylthiophene)
SpectraBase Compound ID 8goxqNr73Ip
InChI InChI=1S/C52H34O2S2/c53-47(37-23-11-3-12-24-37)45-43(35-19-7-1-8-20-35)49(55-51(45)39-27-15-5-16-28-39)41-31-33-42(34-32-41)50-44(36-21-9-2-10-22-36)46(48(54)38-25-13-4-14-26-38)52(56-50)40-29-17-6-18-30-40/h1-34H
InChIKey GABWMKSQKIVZMN-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 9TNTQTasU69
Name 2,2'-(1,4-phenylene)bis(4-benzoyl-3,5-diphenylthiophene)
Alternate Name(s) {5-[4-(4-benzoyl-3,5-diphenyl-2-thienyl)phenyl]-2,4-diphenyl-3-thienyl}(phenyl)methanone
CAS Registry Number 110718-10-0
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(55-51(45)39-27-15-5-16-28-39)41-31-33-42(34-32-41)50-44(36-21-9-2-10-22-36)46(48(54)38-25-13-4-14-26-38)52(56-50)40-29-17-6-18-30-40/h1-34H
InChIKey GABWMKSQKIVZMN-UHFFFAOYSA-N
Molecular Weight 754.962 g/mol
SMILES c1(c(c(-c2ccc(-c3c(c(C(=O)c4ccccc4)c(s3)-c3ccccc3)-c3ccccc3)cc2)sc1-c1ccccc1)-c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a4i-1700000900-ae93febaf599b37d227e
Source of Spectrum K-121-321-19
Wiley ID 1416417