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2-((4-Bromophenyl)amino)-2-(3,4-dimethoxyphenyl)acetonitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-((4-Bromophenyl)amino)-2-(3,4-dimethoxyphenyl)acetonitrile
SpectraBase Compound ID AxSruUmctWa
InChI InChI=1S/C16H15BrN2O2/c1-20-15-8-3-11(9-16(15)21-2)14(10-18)19-13-6-4-12(17)5-7-13/h3-9,14,19H,1-2H3
InChIKey OOJMQUSBQNZBAH-UHFFFAOYSA-N
Mol Weight 347.21 g/mol
Molecular Formula C16H15BrN2O2
Exact Mass 346.031691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IiNaBMbtK71
Name 2-((4-Bromophenyl)amino)-2-(3,4-dimethoxyphenyl)acetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.031690729 u
Formula C16H15BrN2O2
InChI InChI=1S/C16H15BrN2O2/c1-20-15-8-3-11(9-16(15)21-2)14(10-18)19-13-6-4-12(17)5-7-13/h3-9,14,19H,1-2H3
InChIKey OOJMQUSBQNZBAH-UHFFFAOYSA-N
Molecular Weight 347.212 g/mol
SMILES C1=CC(=CC=C1Br)NC(C1=CC(=C(C=C1)OC)OC)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842493