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4-(2-bromobenzyl)isophthalonitrile

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SPTE1SEOZn
Name 4-(2-bromobenzyl)isophthalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1021/acs.orglett.5b02380
Molecular Weight 297.155 g/mol
SMILES C(c1ccc(c(c1)C#N)Cc1c(cccc1)Br)#N
SPLASH splash10-014j-0290000000-c3239077becbfda60a1f
Source of Spectrum A1-17-4396/SM41-13b
Wiley ID 1802320