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2H-Pyrrole-4-carboxylic acid, 2,2-dimethyl-3,5-diphenyl-, ethyl ester
SpectraBase Compound ID 9yQa0y7mTEK
InChI InChI=1S/C21H21NO2/c1-4-24-20(23)17-18(15-11-7-5-8-12-15)21(2,3)22-19(17)16-13-9-6-10-14-16/h5-14H,4H2,1-3H3
InChIKey YSYKECXMPKVDTH-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 6I0admrayUa
Name 2H-Pyrrole-4-carboxylic acid, 2,2-dimethyl-3,5-diphenyl-, ethyl ester
Alternate Name(s) 2,2-Dimethyl-4-ethoxycarbonyl-3,5-diphenyl-2H-pyrrole Ethyl 2,2-dimethyl-3,5-diphenyl-2H-pyrrole-4-carboxylate
CAS Registry Number 63405-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2
InChI InChI=1S/C21H21NO2/c1-4-24-20(23)17-18(15-11-7-5-8-12-15)21(2,3)22-19(17)16-13-9-6-10-14-16/h5-14H,4H2,1-3H3
InChIKey YSYKECXMPKVDTH-UHFFFAOYSA-N
Molecular Weight 319.404 g/mol
SMILES C=1(C(=NC(C1c1ccccc1)(C)C)c1ccccc1)C(=O)OCC
SPLASH splash10-0002-0594000000-62baa693ba16d9a6f185
Source of Spectrum H-60-695-0
Wiley ID 1319520