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4-Bromophenyl-.beta.-phenylpropionate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Bromophenyl-.beta.-phenylpropionate
SpectraBase Compound ID CZIdHdfIczD
InChI InChI=1S/C15H13BrO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKey IASQXXRDCNMHFH-UHFFFAOYSA-N
Mol Weight 305.17 g/mol
Molecular Formula C15H13BrO2
Exact Mass 304.009893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D3KBrn3foiS
Name 4-Bromophenyl-.beta.-phenylpropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.009892657 u
Formula C15H13BrO2
InChI InChI=1S/C15H13BrO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKey IASQXXRDCNMHFH-UHFFFAOYSA-N
Molecular Weight 305.171 g/mol
SMILES C1=CC(=CC=C1)CCC(OC=1C=CC(=CC1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910543