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2-(o-Bromobenzyl)-5-phenyl-4-pentenenitrile
SpectraBase Compound ID 2oFfUdHxjj1
InChI InChI=1S/C18H16BrN/c19-18-12-5-4-11-17(18)13-16(14-20)10-6-9-15-7-2-1-3-8-15/h1-9,11-12,16H,10,13H2/b9-6+
InChIKey IUABCVWNFTXPIF-RMKNXTFCSA-N
Mol Weight 326.24 g/mol
Molecular Formula C18H16BrN
Exact Mass 325.046613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wPbOWraz7A
Name 2-(o-Bromobenzyl)-5-phenyl-4-pentenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16BrN
InChI InChI=1S/C18H16BrN/c19-18-12-5-4-11-17(18)13-16(14-20)10-6-9-15-7-2-1-3-8-15/h1-9,11-12,16H,10,13H2/b9-6+
InChIKey IUABCVWNFTXPIF-RMKNXTFCSA-N
Molecular Weight 326.237 g/mol
SMILES C(#N)C(Cc1c(Br)cccc1)C\C=C\c1ccccc1
SPLASH splash10-014i-1920000000-ab5e4f7d6e74bbb44267
Source of Spectrum QA-47-335-5
Synonyms (4E)-2-(2-bromobenzyl)-5-phenyl-4-pentenenitrile
Wiley ID 863330