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5-[p-[Bromophenyl]-2,4-pentadienoic acid

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

5-[p-[Bromophenyl]-2,4-pentadienoic acid
SpectraBase Compound ID 8sXFoATQiNf
InChI InChI=1S/C11H9BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8H,(H,13,14)/b3-1+,4-2+
InChIKey VOYSRRAAFWNKEK-ZPUQHVIOSA-N
Mol Weight 253.09 g/mol
Molecular Formula C11H9BrO2
Exact Mass 251.978593 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4TplkBGvKFx
Name 5-[p-[Bromophenyl]-2,4-pentadienoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.978592528 u
Formula C11H9BrO2
InChI InChI=1S/C11H9BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8H,(H,13,14)/b3-1+,4-2+
InChIKey VOYSRRAAFWNKEK-ZPUQHVIOSA-N
Molecular Weight 253.095 g/mol
SMILES C1=CC(\C=C\C=C\C(O)=O)=CC=C1Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872255