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2-Amino-1-(4-methylphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile, N-acetyl

View entire compound with spectra: 1 NMR

2-Amino-1-(4-methylphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile, N-acetyl
SpectraBase Compound ID Dva3VvtijF5
InChI InChI=1S/C20H17N3O/c1-14-8-10-17(11-9-14)23-13-19(16-6-4-3-5-7-16)18(12-21)20(23)22-15(2)24/h3-11,13H,1-2H3,(H,22,24)
InChIKey FESFCDNBTCMJSP-UHFFFAOYSA-N
Mol Weight 315.38 g/mol
Molecular Formula C20H17N3O
Exact Mass 315.137162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qIJxeqpyMV
Name 2-Amino-1-(4-methylphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile, N-acetyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.137162178 u
Formula C20H17N3O
InChI InChI=1S/C20H17N3O/c1-14-8-10-17(11-9-14)23-13-19(16-6-4-3-5-7-16)18(12-21)20(23)22-15(2)24/h3-11,13H,1-2H3,(H,22,24)
InChIKey FESFCDNBTCMJSP-UHFFFAOYSA-N
Molecular Weight 315.376 g/mol
SMILES CC(=O)NC1=C(C#N)C(C2=CC=CC=C2)=CN1C=1C=CC(C)=CC1