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2-Bromobenzoic acid, 3-phenyl-2-propenyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Bromobenzoic acid, 3-phenyl-2-propenyl ester
SpectraBase Compound ID D1kwKhsySXb
InChI InChI=1S/C16H13BrO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKey VCSPTPADAQXEJK-RMKNXTFCSA-N
Mol Weight 317.18 g/mol
Molecular Formula C16H13BrO2
Exact Mass 316.009893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Epr7jiPIrjk
Name 2-Bromobenzoic acid, 3-phenyl-2-propenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.009892657 u
Formula C16H13BrO2
InChI InChI=1S/C16H13BrO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKey VCSPTPADAQXEJK-RMKNXTFCSA-N
Molecular Weight 317.182 g/mol
SMILES C1(=CC=CC=C1)\C=C\COC(C1=CC=CC=C1Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915211