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Benzamide, 2-(4-trifluoromethyl-2-nitrophenoxy)-N-[2-(2,2,2-trifluoroethoxy)-5-trifluoromethylphenyl]-
SpectraBase Compound ID 8K4BwYMEHjQ
InChI InChI=1S/C23H13F9N2O5/c24-21(25,26)11-38-18-7-5-12(22(27,28)29)9-15(18)33-20(35)14-3-1-2-4-17(14)39-19-8-6-13(23(30,31)32)10-16(19)34(36)37/h1-10H,11H2,(H,33,35)
InChIKey CYHHOIGDPKQQOQ-UHFFFAOYSA-N
Mol Weight 568.35 g/mol
Molecular Formula C23H13F9N2O5
Exact Mass 568.068075 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GwVuYqUoGkI
Name Benzamide, 2-(4-trifluoromethyl-2-nitrophenoxy)-N-[2-(2,2,2-trifluoroethoxy)-5-trifluoromethylphenyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.068074989 u
Formula C23H13F9N2O5
InChI InChI=1S/C23H13F9N2O5/c24-21(25,26)11-38-18-7-5-12(22(27,28)29)9-15(18)33-20(35)14-3-1-2-4-17(14)39-19-8-6-13(23(30,31)32)10-16(19)34(36)37/h1-10H,11H2,(H,33,35)
InChIKey CYHHOIGDPKQQOQ-UHFFFAOYSA-N
Molecular Weight 568.352 g/mol
SMILES C1(N(=O)=O)=C(OC=2C(C(NC3=C(OCC(F)(F)F)C=CC(C(F)(F)F)=C3)=O)=CC=CC2)C=CC(=C1)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972815