For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-(p-Bromophenyl)-2-phenylacetoacetonitrile

View entire compound with spectra: 1 Raman, and 3 UV-Vis

4-(p-Bromophenyl)-2-phenylacetoacetonitrile
SpectraBase Compound ID 36HLfpnHhso
InChI InChI=1S/C16H12BrNO/c17-14-8-6-12(7-9-14)10-16(19)15(11-18)13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKey QWKZYFMDJUCCCL-UHFFFAOYSA-N
Mol Weight 314.18 g/mol
Molecular Formula C16H12BrNO
Exact Mass 313.010227 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GIMBVQDpma5
Name 4-(p-Bromophenyl)-2-phenylacetoacetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.010227009 u
Formula C16H12BrNO
InChI InChI=1S/C16H12BrNO/c17-14-8-6-12(7-9-14)10-16(19)15(11-18)13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKey QWKZYFMDJUCCCL-UHFFFAOYSA-N
Molecular Weight 314.182 g/mol
SMILES C=1C(=CC=C(C1)Br)CC(C(C=1C=CC=CC1)C#N)=O
Spectrum/Structure Validation Score (Raman) 0.884366