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3,4-Thiophenedicarboxylic acid, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[5-phenyl-, tetramethyl ester
SpectraBase Compound ID BIhrxxtBrHF
InChI InChI=1S/C40H30O8S2/c1-45-37(41)29-31(39(43)47-3)35(49-33(29)25-11-7-5-8-12-25)27-19-15-23(16-20-27)24-17-21-28(22-18-24)36-32(40(44)48-4)30(38(42)46-2)34(50-36)26-13-9-6-10-14-26/h5-22H,1-4H3
InChIKey KDTSAOKXFHSUJL-UHFFFAOYSA-N
Mol Weight 702.8 g/mol
Molecular Formula C40H30O8S2
Exact Mass 702.13821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3D770MVEz4H
Name 3,4-Thiophenedicarboxylic acid, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[5-phenyl-, tetramethyl ester
Alternate Name(s) Dimethyl 2-{4'-[3,4-bis(methoxycarbonyl)-5-phenyl-2-thienyl][1,1'-biphenyl]-4-yl}-5-phenyl-3,4-thiophenedicarboxylate
CAS Registry Number 110699-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H30O8S2
InChI InChI=1S/C40H30O8S2/c1-45-37(41)29-31(39(43)47-3)35(49-33(29)25-11-7-5-8-12-25)27-19-15-23(16-20-27)24-17-21-28(22-18-24)36-32(40(44)48-4)30(38(42)46-2)34(50-36)26-13-9-6-10-14-26/h5-22H,1-4H3
InChIKey KDTSAOKXFHSUJL-UHFFFAOYSA-N
Molecular Weight 702.792 g/mol
SMILES c1(c(c(-c2ccccc2)sc1-c1ccc(-c2ccc(-c3c(c(C(=O)OC)c(s3)-c3ccccc3)C(=O)OC)cc2)cc1)C(=O)OC)C(=O)OC
SPLASH splash10-0udi-0002001900-d4fd64e71e3263999c4f
Source of Spectrum K-121-320-9
Wiley ID 1415102