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2-(o-Bromobenzyl)-2,5-diphenyl-4-pentenenitrile
SpectraBase Compound ID 3WX9naqSGXg
InChI InChI=1S/C24H20BrN/c25-23-16-8-7-13-21(23)18-24(19-26,22-14-5-2-6-15-22)17-9-12-20-10-3-1-4-11-20/h1-16H,17-18H2/b12-9+
InChIKey CWNXYHAAPYQWOW-FMIVXFBMSA-N
Mol Weight 402.34 g/mol
Molecular Formula C24H20BrN
Exact Mass 401.077913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNixYJe4D0I
Name 2-(o-Bromobenzyl)-2,5-diphenyl-4-pentenenitrile
Alternate Name(s) (4E)-2-(2-bromobenzyl)-2,5-diphenyl-4-pentenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20BrN
InChI InChI=1S/C24H20BrN/c25-23-16-8-7-13-21(23)18-24(19-26,22-14-5-2-6-15-22)17-9-12-20-10-3-1-4-11-20/h1-16H,17-18H2/b12-9+
InChIKey CWNXYHAAPYQWOW-FMIVXFBMSA-N
Molecular Weight 402.335 g/mol
SMILES C(C#N)(Cc1c(Br)cccc1)(c1ccccc1)C\C=C\c1ccccc1
SPLASH splash10-014i-0900000000-bb3c6907643bd49afa62
Source of Spectrum QA-48-336-6
Wiley ID 863502