For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Amino-6-(2-bromophenyl)-4-(3,4,5-trimethoxyphenyl)nicotinonitrile

View entire compound with spectra: 2 NMR

2-Amino-6-(2-bromophenyl)-4-(3,4,5-trimethoxyphenyl)nicotinonitrile
SpectraBase Compound ID 6R0MtZjAVt5
InChI InChI=1S/C21H18BrN3O3/c1-26-18-8-12(9-19(27-2)20(18)28-3)14-10-17(25-21(24)15(14)11-23)13-6-4-5-7-16(13)22/h4-10H,1-3H3,(H2,24,25)
InChIKey KRRMCLRTXZKWCS-UHFFFAOYSA-N
Mol Weight 440.3 g/mol
Molecular Formula C21H18BrN3O3
Exact Mass 439.053154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9EGx1HyIkta
Name 2-Amino-6-(2-bromophenyl)-4-(3,4,5-trimethoxyphenyl)nicotinonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.053154449 u
Formula C21H18BrN3O3
InChI InChI=1S/C21H18BrN3O3/c1-26-18-8-12(9-19(27-2)20(18)28-3)14-10-17(25-21(24)15(14)11-23)13-6-4-5-7-16(13)22/h4-10H,1-3H3,(H2,24,25)
InChIKey KRRMCLRTXZKWCS-UHFFFAOYSA-N
Molecular Weight 440.297 g/mol
SMILES NC1=NC(C2=C(Br)C=CC=C2)=CC(=C1C#N)C1=CC(OC)=C(C(=C1)OC)OC