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5-Fluoro-2-trifluoromethylbenzoic acid, 4-nitrophenyl ester
SpectraBase Compound ID DuxgGluqOtW
InChI InChI=1S/C14H7F4NO4/c15-8-1-6-12(14(16,17)18)11(7-8)13(20)23-10-4-2-9(3-5-10)19(21)22/h1-7H
InChIKey WUWIYFKSVRDHOU-UHFFFAOYSA-N
Mol Weight 329.21 g/mol
Molecular Formula C14H7F4NO4
Exact Mass 329.03112 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HuAzV8oS8pu
Name 5-Fluoro-2-trifluoromethylbenzoic acid, 4-nitrophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.031120357 u
Formula C14H7F4NO4
InChI InChI=1S/C14H7F4NO4/c15-8-1-6-12(14(16,17)18)11(7-8)13(20)23-10-4-2-9(3-5-10)19(21)22/h1-7H
InChIKey WUWIYFKSVRDHOU-UHFFFAOYSA-N
Molecular Weight 329.207 g/mol
SMILES C1(=CC=C(C=C1)OC(C1=C(C(F)(F)F)C=CC(=C1)F)=O)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917206