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(2E)-4-(4-Bromophenyl)-4-oxo-2-butenoic acid

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(2E)-4-(4-Bromophenyl)-4-oxo-2-butenoic acid
SpectraBase Compound ID 9loiKeZrhIi
InChI InChI=1S/C10H7BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+
InChIKey CJNVLFPUEBQQMZ-AATRIKPKSA-N
Mol Weight 255.07 g/mol
Molecular Formula C10H7BrO3
Exact Mass 253.957857 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 586aJCrCUS3
Name (2E)-4-(4-Bromophenyl)-4-oxo-2-butenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.957857082 u
Formula C10H7BrO3
InChI InChI=1S/C10H7BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+
InChIKey CJNVLFPUEBQQMZ-AATRIKPKSA-N
Molecular Weight 255.067 g/mol
SMILES C1(Br)=CC=C(C=C1)C(=O)\C=C\C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873602