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2H-Pyrrole-3-carboxylic acid, 2,2-dimethyl-4,5-diphenyl-, ethyl ester
SpectraBase Compound ID 53yK9zIKTrf
InChI InChI=1S/C21H21NO2/c1-4-24-20(23)18-17(15-11-7-5-8-12-15)19(22-21(18,2)3)16-13-9-6-10-14-16/h5-14H,4H2,1-3H3
InChIKey JHQRKEUXESOMHV-UHFFFAOYSA-N
Mol Weight 319.4 g/mol
Molecular Formula C21H21NO2
Exact Mass 319.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqHFIGneL9m
Name 2H-Pyrrole-3-carboxylic acid, 2,2-dimethyl-4,5-diphenyl-, ethyl ester
CAS Registry Number 63405-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2
InChI InChI=1S/C21H21NO2/c1-4-24-20(23)18-17(15-11-7-5-8-12-15)19(22-21(18,2)3)16-13-9-6-10-14-16/h5-14H,4H2,1-3H3
InChIKey JHQRKEUXESOMHV-UHFFFAOYSA-N
Molecular Weight 319.404 g/mol
SMILES C1(=C(C(c2ccccc2)=NC1(C)C)c1ccccc1)C(=O)OCC
SPLASH splash10-016s-0879000000-004618ca73cb3026d3d2
Source of Spectrum H-60-695-0
Synonyms 2,2-Dimethyl-3-ethoxycarbonyl-4,5-diphenyl-2H-pyrrole Ethyl 2,2-dimethyl-4,5-diphenyl-2H-pyrrole-3-carboxylate
Wiley ID 1319519