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2H-Pyrrole-3-carboxylic acid, 3-cyano-4-ethoxy-3,4-dihydro-2,2-dimethyl-5-phenyl-, ethyl ester
SpectraBase Compound ID 3jawNcZrDNG
InChI InChI=1S/C18H22N2O3/c1-5-22-15-14(13-10-8-7-9-11-13)20-17(3,4)18(15,12-19)16(21)23-6-2/h7-11,15H,5-6H2,1-4H3
InChIKey AOFGQJCOFDUAMW-UHFFFAOYSA-N
Mol Weight 314.39 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3dNBGqe7WM
Name 2H-Pyrrole-3-carboxylic acid, 3-cyano-4-ethoxy-3,4-dihydro-2,2-dimethyl-5-phenyl-, ethyl ester
Alternate Name(s) Ethyl 3-cyano-4-ethoxy-2,2-dimethyl-5-phenyl-3,4-dihydro-2H-pyrrole-3-carboxylate Ethylester of 3-ethoxy-4-cyano-5,5-dimethyl-2-phenyl-1-pyrrolin-4-carbonic acid
CAS Registry Number 59857-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-5-22-15-14(13-10-8-7-9-11-13)20-17(3,4)18(15,12-19)16(21)23-6-2/h7-11,15H,5-6H2,1-4H3
InChIKey AOFGQJCOFDUAMW-UHFFFAOYSA-N
Molecular Weight 314.385 g/mol
SMILES C1(C(N=C(C1OCC)c1ccccc1)(C)C)(C(=O)OCC)C#N
SPLASH splash10-0f6t-1900000000-f52f4a1c0ad12723dd03
Source of Spectrum H-59-1025-11
Wiley ID 1315145