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3-Anilino-3-(4-bromophenyl)propanenitrile

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Anilino-3-(4-bromophenyl)propanenitrile
SpectraBase Compound ID AzF9koUHKxj
InChI InChI=1S/C15H13BrN2/c16-13-8-6-12(7-9-13)15(10-11-17)18-14-4-2-1-3-5-14/h1-9,15,18H,10H2
InChIKey BOBZZOPBYXJZDI-UHFFFAOYSA-N
Mol Weight 301.19 g/mol
Molecular Formula C15H13BrN2
Exact Mass 300.026211 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5k5s0tAv7Mr
Name 3-Anilino-3-(4-bromophenyl)propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.026211427 u
Formula C15H13BrN2
InChI InChI=1S/C15H13BrN2/c16-13-8-6-12(7-9-13)15(10-11-17)18-14-4-2-1-3-5-14/h1-9,15,18H,10H2
InChIKey BOBZZOPBYXJZDI-UHFFFAOYSA-N
Molecular Weight 301.187 g/mol
SMILES C(NC1=CC=CC=C1)(CC#N)C1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910336