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2-amino-1-(4-methylbenzyl)-4,5-diphenyl-1H-pyrrole-3-carbonitrile

View entire compound with spectra: 2 NMR

2-amino-1-(4-methylbenzyl)-4,5-diphenyl-1H-pyrrole-3-carbonitrile
SpectraBase Compound ID 9V6LuJatOSj
InChI InChI=1S/C25H21N3/c1-18-12-14-19(15-13-18)17-28-24(21-10-6-3-7-11-21)23(22(16-26)25(28)27)20-8-4-2-5-9-20/h2-15H,17,27H2,1H3
InChIKey ZCZGDPLJLGGGNK-UHFFFAOYSA-N
Mol Weight 363.46 g/mol
Molecular Formula C25H21N3
Exact Mass 363.173548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 324D44DLRWg
Name 2-Amino-1-(4-methylbenzyl)-4,5-diphenyl-1H-pyrrole-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.173547688 u
Formula C25H21N3
InChI InChI=1S/C25H21N3/c1-18-12-14-19(15-13-18)17-28-24(21-10-6-3-7-11-21)23(22(16-26)25(28)27)20-8-4-2-5-9-20/h2-15H,17,27H2,1H3
InChIKey ZCZGDPLJLGGGNK-UHFFFAOYSA-N
Molecular Weight 363.464 g/mol
SMILES NC=1N(CC2=CC=C(C=C2)C)C(=C(C1C#N)C=1C=CC=CC1)C1=CC=CC=C1