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Benzoic acid, 2-(1-oxo-3-phenyl-2-propenyl)-

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

Benzoic acid, 2-(1-oxo-3-phenyl-2-propenyl)-
SpectraBase Compound ID GkcH0OY7OKy
InChI InChI=1S/C16H12O3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-11H,(H,18,19)/b11-10+
InChIKey XHISZGCLMMMERP-ZHACJKMWSA-N
Mol Weight 252.27 g/mol
Molecular Formula C16H12O3
Exact Mass 252.078644 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5r4NIOUDOld
Name Benzoic acid, 2-(1-oxo-3-phenyl-2-propenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.078644243 u
Formula C16H12O3
InChI InChI=1S/C16H12O3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-11H,(H,18,19)/b11-10+
InChIKey XHISZGCLMMMERP-ZHACJKMWSA-N
Molecular Weight 252.269 g/mol
SMILES OC(C1=C(C=CC=C1)C(\C=C\C1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Raman) 0.993755