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Benzeneacetic acid, 4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-.alpha.-hydroxy-3-methoxy-.alpha.-(trifluoromethyl)-, methyl ester

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

Benzeneacetic acid, 4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-.alpha.-hydroxy-3-methoxy-.alpha.-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID BLDGJOFnvSF
InChI InChI=1S/C15H11F10NO5/c1-30-8-5-6(11(29,10(28)31-2)14(20,21)22)3-4-7(8)26-9(27)12(16,17)13(18,19)15(23,24)25/h3-5,29H,1-2H3,(H,26,27)
InChIKey CAKSROUKIUIVRG-UHFFFAOYSA-N
Mol Weight 475.24 g/mol
Molecular Formula C15H11F10NO5
Exact Mass 475.047754 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CHdis8JnmLy
Name Benzeneacetic acid, 4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-.alpha.-hydroxy-3-methoxy-.alpha.-(trifluoromethyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.047754083 u
Formula C15H11F10NO5
InChI InChI=1S/C15H11F10NO5/c1-30-8-5-6(11(29,10(28)31-2)14(20,21)22)3-4-7(8)26-9(27)12(16,17)13(18,19)15(23,24)25/h3-5,29H,1-2H3,(H,26,27)
InChIKey CAKSROUKIUIVRG-UHFFFAOYSA-N
Molecular Weight 475.239 g/mol
SMILES C1=CC(=C(C=C1C(O)(C(F)(F)F)C(OC)=O)OC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851571