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.alpha.-[2-Nitro-4-trifluoromethylphenyl]cinnamic acid

View entire compound with spectra: 1 FTIR

.alpha.-[2-Nitro-4-trifluoromethylphenyl]cinnamic acid
SpectraBase Compound ID 6PyqhjbSTQ3
InChI InChI=1S/C16H10F3NO4/c17-16(18,19)11-6-7-12(14(9-11)20(23)24)13(15(21)22)8-10-4-2-1-3-5-10/h1-9H,(H,21,22)/b13-8-
InChIKey YLLKGBNUHLZDJD-JYRVWZFOSA-N
Mol Weight 337.25 g/mol
Molecular Formula C16H10F3NO4
Exact Mass 337.056192 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ET7CkeQmigo
Name .alpha.-[2-Nitro-4-trifluoromethylphenyl]cinnamic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.056192291 u
Formula C16H10F3NO4
InChI InChI=1S/C16H10F3NO4/c17-16(18,19)11-6-7-12(14(9-11)20(23)24)13(15(21)22)8-10-4-2-1-3-5-10/h1-9H,(H,21,22)/b13-8-
InChIKey YLLKGBNUHLZDJD-JYRVWZFOSA-N
Molecular Weight 337.254 g/mol
SMILES C(O)(\C(=C/C1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1N(=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97318