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Benzeneacetic acid, 4-[[[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-phenylethyl]amino]carbonyl]amino]-.alpha.-hydroxy-.alpha.-(trifluoromethyl)-, ethyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Benzeneacetic acid, 4-[[[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-phenylethyl]amino]carbonyl]amino]-.alpha.-hydroxy-.alpha.-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID 7EmUJnJck93
InChI InChI=1S/C23H22F6N2O6/c1-3-36-17(32)20(22(24,25)26,14-8-6-5-7-9-14)31-19(34)30-16-12-10-15(11-13-16)21(35,23(27,28)29)18(33)37-4-2/h5-13,35H,3-4H2,1-2H3,(H2,30,31,34)
InChIKey WTJYGNHHGQWVID-UHFFFAOYSA-N
Mol Weight 536.43 g/mol
Molecular Formula C23H22F6N2O6
Exact Mass 536.138205 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GHz4Pnz4it5
Name Benzeneacetic acid, 4-[[[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-phenylethyl]amino]carbonyl]amino]-.alpha.-hydroxy-.alpha.-(trifluoromethyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.138205408 u
Formula C23H22F6N2O6
InChI InChI=1S/C23H22F6N2O6/c1-3-36-17(32)20(22(24,25)26,14-8-6-5-7-9-14)31-19(34)30-16-12-10-15(11-13-16)21(35,23(27,28)29)18(33)37-4-2/h5-13,35H,3-4H2,1-2H3,(H2,30,31,34)
InChIKey WTJYGNHHGQWVID-UHFFFAOYSA-N
Molecular Weight 536.427 g/mol
SMILES C(C(O)(C(F)(F)F)C1=CC=C(C=C1)NC(=O)NC(C1=CC=CC=C1)(C(OCC)=O)C(F)(F)F)(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842214