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4-(2-Bromobenzyl)isophthalonitrile

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

4-(2-Bromobenzyl)isophthalonitrile
SpectraBase Compound ID 8CepPToISb1
InChI InChI=1S/C15H9BrN2/c16-15-4-2-1-3-13(15)8-12-6-5-11(9-17)7-14(12)10-18/h1-7H,8H2
InChIKey OWFBDWIABCAEFG-UHFFFAOYSA-N
Mol Weight 297.16 g/mol
Molecular Formula C15H9BrN2
Exact Mass 295.994911 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6ObMfqlQynv
Name 4-(2-Bromobenzyl)isophthalonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.994911298 u
Formula C15H9BrN2
InChI InChI=1S/C15H9BrN2/c16-15-4-2-1-3-13(15)8-12-6-5-11(9-17)7-14(12)10-18/h1-7H,8H2
InChIKey OWFBDWIABCAEFG-UHFFFAOYSA-N
Molecular Weight 297.155 g/mol
SMILES C(C=1C=CC(=C(C1)C#N)CC=1C(=CC=CC1)Br)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87343