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3-Thiophenecarboxylic acid, 5,5'-(1,4-phenylene)bis[2-phenyl-, dimethyl ester
SpectraBase Compound ID 3anRxOdSqTQ
InChI InChI=1S/C30H22O4S2/c1-33-29(31)23-17-25(35-27(23)21-9-5-3-6-10-21)19-13-15-20(16-14-19)26-18-24(30(32)34-2)28(36-26)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKey IONJZZBZUXGLQO-UHFFFAOYSA-N
Mol Weight 510.62 g/mol
Molecular Formula C30H22O4S2
Exact Mass 510.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ba1sYRUpZF
Name 3-Thiophenecarboxylic acid, 5,5'-(1,4-phenylene)bis[2-phenyl-, dimethyl ester
CAS Registry Number 110699-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O4S2
InChI InChI=1S/C30H22O4S2/c1-33-29(31)23-17-25(35-27(23)21-9-5-3-6-10-21)19-13-15-20(16-14-19)26-18-24(30(32)34-2)28(36-26)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKey IONJZZBZUXGLQO-UHFFFAOYSA-N
Molecular Weight 510.622 g/mol
SMILES c1(c(sc(c1)-c1ccc(-c2sc(-c3ccccc3)c(c2)C(=O)OC)cc1)-c1ccccc1)C(=O)OC
SPLASH splash10-03di-1010090000-b611f38ac4544fcb1bba
Source of Spectrum K-121-320-14
Synonyms Methyl 5-{4-[4-(methoxycarbonyl)-5-phenyl-2-thienyl]phenyl}-2-phenyl-3-thiophenecarboxylate
Wiley ID 1400528