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2,3,4-Trifluorobenzoic acid, morpholide

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2,3,4-Trifluorobenzoic acid, morpholide
SpectraBase Compound ID G0hVNu4F7g0
InChI InChI=1S/C11H10F3NO2/c12-8-2-1-7(9(13)10(8)14)11(16)15-3-5-17-6-4-15/h1-2H,3-6H2
InChIKey OYQXKOYUFQGWLM-UHFFFAOYSA-N
Mol Weight 245.2 g/mol
Molecular Formula C11H10F3NO2
Exact Mass 245.066363 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3XrGplnRHuE
Name 2,3,4-Trifluorobenzoic acid, morpholide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.066363053 u
Formula C11H10F3NO2
InChI InChI=1S/C11H10F3NO2/c12-8-2-1-7(9(13)10(8)14)11(16)15-3-5-17-6-4-15/h1-2H,3-6H2
InChIKey OYQXKOYUFQGWLM-UHFFFAOYSA-N
Molecular Weight 245.201 g/mol
SMILES C1(=C(C(=C(C=C1)C(N1CCOCC1)=O)F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886108