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(2R,5S)-5-(4-cyanophenyl)-2-phenyl-3-pyrroline-2,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID K7rutCWJ0Rl
InChI InChI=1S/C21H18N2O4/c1-26-19(24)17-12-21(20(25)27-2,16-6-4-3-5-7-16)23-18(17)15-10-8-14(13-22)9-11-15/h3-12,18,23H,1-2H3/t18-,21+/m0/s1
InChIKey GEZAMJLABIGIPT-GHTZIAJQSA-N
Mol Weight 362.39 g/mol
Molecular Formula C21H18N2O4
Exact Mass 362.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tIH3ORKImT
Name (2R,5S)-5-(4-cyanophenyl)-2-phenyl-3-pyrroline-2,4-dicarboxylic acid dimethyl ester
Alternate Name(s) (2S,5R)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,5-dicarboxylic acid dimethyl ester Dimethyl (2S,5R)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,5-dicarboxylate
CAS Registry Number 131786-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O4
InChI InChI=1S/C21H18N2O4/c1-26-19(24)17-12-21(20(25)27-2,16-6-4-3-5-7-16)23-18(17)15-10-8-14(13-22)9-11-15/h3-12,18,23H,1-2H3/t18-,21+/m0/s1
InChIKey GEZAMJLABIGIPT-GHTZIAJQSA-N
Molecular Weight 362.385 g/mol
SMILES N1[C@@](C=C([C@@]1(c1ccc(C#N)cc1)[H])C(=O)OC)(C(=O)OC)c1ccccc1
SPLASH splash10-004i-0090000000-cae1a8172c62b5d8acd4
Source of Spectrum F-46-6475-4
Wiley ID 1349676