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3-Thiophenecarboxylic acid, 2,2'-(1,3-phenylene)bis[5-phenyl-, dimethyl ester
SpectraBase Compound ID AiEnsriMQc5
InChI InChI=1S/C30H22O4S2/c1-33-29(31)23-17-25(19-10-5-3-6-11-19)35-27(23)21-14-9-15-22(16-21)28-24(30(32)34-2)18-26(36-28)20-12-7-4-8-13-20/h3-18H,1-2H3
InChIKey VJZFMFZQSGIMJI-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 LthtwrcFiH4
Name 3-Thiophenecarboxylic acid, 2,2'-(1,3-phenylene)bis[5-phenyl-, dimethyl ester
CAS Registry Number 110699-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O4S2
InChI InChI=1S/C30H22O4S2/c1-33-29(31)23-17-25(19-10-5-3-6-11-19)35-27(23)21-14-9-15-22(16-21)28-24(30(32)34-2)18-26(36-28)20-12-7-4-8-13-20/h3-18H,1-2H3
InChIKey VJZFMFZQSGIMJI-UHFFFAOYSA-N
Molecular Weight 510.622 g/mol
SMILES c1(c(sc(c1)-c1ccccc1)-c1cc(-c2c(cc(s2)-c2ccccc2)C(=O)OC)ccc1)C(=O)OC
SPLASH splash10-03di-0120290000-d7ba766bf8f29f0d0f3f
Source of Spectrum K-121-321-15
Synonyms Methyl 2-{3-[3-(methoxycarbonyl)-5-phenyl-2-thienyl]phenyl}-5-phenyl-3-thiophenecarboxylate
Wiley ID 1400531