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1H-Pyrrole-3-carboxylic acid, 3-cyano-2,3-dihydro-2-(4-methoxyphenyl)-1-methyl-4,5-diphenyl-, methyl ester, trans-
SpectraBase Compound ID EmWOlruMF37
InChI InChI=1S/C27H24N2O3/c1-29-24(20-12-8-5-9-13-20)23(19-10-6-4-7-11-19)27(18-28,26(30)32-3)25(29)21-14-16-22(31-2)17-15-21/h4-17,25H,1-3H3/t25-,27+/m1/s1
InChIKey UEMGYAQXXUXIIQ-VPUSJEBWSA-N
Mol Weight 424.5 g/mol
Molecular Formula C27H24N2O3
Exact Mass 424.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bge9UCI7Rj
Name 1H-Pyrrole-3-carboxylic acid, 3-cyano-2,3-dihydro-2-(4-methoxyphenyl)-1-methyl-4,5-diphenyl-, methyl ester, trans-
CAS Registry Number 130485-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N2O3
InChI InChI=1S/C27H24N2O3/c1-29-24(20-12-8-5-9-13-20)23(19-10-6-4-7-11-19)27(18-28,26(30)32-3)25(29)21-14-16-22(31-2)17-15-21/h4-17,25H,1-3H3/t25-,27+/m1/s1
InChIKey UEMGYAQXXUXIIQ-VPUSJEBWSA-N
Molecular Weight 424.500 g/mol
SMILES [C@]1(C(=C(c2ccccc2)N([C@@]1(c1ccc(cc1)OC)[H])C)c1ccccc1)(C(=O)OC)C#N
SPLASH splash10-014j-0009100000-097b51010650a0ea55c2
Source of Spectrum F-46-3523-7
Synonyms Methyl (2R,3S)-3-cyano-2-(4-methoxyphenyl)-1-methyl-4,5-diphenyl-2,3-dihydro-1H-pyrrole-3-carboxylate N-Methyl-2,3-diphenyl-4-cyano-4-methoxycarbonyl-5-p-methoxyphenyl-pyrroline
Wiley ID 1379412