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1-(p-Bromophenacyl)-1,2,3,6-tetrahydroisonicotinonitrile

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

1-(p-Bromophenacyl)-1,2,3,6-tetrahydroisonicotinonitrile
SpectraBase Compound ID IJnEzgYVMZY
InChI InChI=1S/C14H13BrN2O/c15-13-3-1-12(2-4-13)14(18)10-17-7-5-11(9-16)6-8-17/h1-5H,6-8,10H2
InChIKey ZVNHACJHGYELTD-UHFFFAOYSA-N
Mol Weight 305.18 g/mol
Molecular Formula C14H13BrN2O
Exact Mass 304.021126 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Es98v1CU0qK
Name 1-(p-Bromophenacyl)-1,2,3,6-tetrahydroisonicotinonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.021126046 u
Formula C14H13BrN2O
InChI InChI=1S/C14H13BrN2O/c15-13-3-1-12(2-4-13)14(18)10-17-7-5-11(9-16)6-8-17/h1-5H,6-8,10H2
InChIKey ZVNHACJHGYELTD-UHFFFAOYSA-N
Molecular Weight 305.175 g/mol
SMILES C1N(CC=C(C1)C#N)CC(C=1C=CC(=CC1)Br)=O
Spectrum/Structure Validation Score (Raman) 0.938442