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(2S,5S)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester
SpectraBase Compound ID CYCbxqGI4HO
InChI InChI=1S/C23H20N2O6/c1-29-20(26)17-18(21(27)30-2)23(22(28)31-3,16-7-5-4-6-8-16)25-19(17)15-11-9-14(13-24)10-12-15/h4-12,19,25H,1-3H3/t19-,23-/m0/s1
InChIKey WAWPYWHASNCPER-CVDCTZTESA-N
Mol Weight 420.42 g/mol
Molecular Formula C23H20N2O6
Exact Mass 420.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzsrAC9YY2y
Name (2S,5S)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester
Alternate Name(s) (2S,5S)-5-(4-cyanophenyl)-2-phenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester Trimethyl (2S,5S)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate
CAS Registry Number 89330-88-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N2O6
InChI InChI=1S/C23H20N2O6/c1-29-20(26)17-18(21(27)30-2)23(22(28)31-3,16-7-5-4-6-8-16)25-19(17)15-11-9-14(13-24)10-12-15/h4-12,19,25H,1-3H3/t19-,23-/m0/s1
InChIKey WAWPYWHASNCPER-CVDCTZTESA-N
Molecular Weight 420.421 g/mol
SMILES N1[C@](C(=C([C@]1(C(=O)OC)c1ccccc1)C(=O)OC)C(=O)OC)(c1ccc(C#N)cc1)[H]
SPLASH splash10-03di-0029000000-bd9f2e4ad5a627071d1b
Source of Spectrum F-46-6478-7
Wiley ID 1377947