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1,3-Benzenedicarboxylic acid, 5-[[[1-hydroxy-4-[(2,2,2-trifluoroacetyl)amino]-2-naphthalenyl]carbonyl]amino]-, dimethyl ester

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

1,3-Benzenedicarboxylic acid, 5-[[[1-hydroxy-4-[(2,2,2-trifluoroacetyl)amino]-2-naphthalenyl]carbonyl]amino]-, dimethyl ester
SpectraBase Compound ID HBMqWorsaMB
InChI InChI=1S/C23H17F3N2O7/c1-34-20(31)11-7-12(21(32)35-2)9-13(8-11)27-19(30)16-10-17(28-22(33)23(24,25)26)14-5-3-4-6-15(14)18(16)29/h3-10,29H,1-2H3,(H,27,30)(H,28,33)
InChIKey NTBMFIPMRCOBDD-UHFFFAOYSA-N
Mol Weight 490.39 g/mol
Molecular Formula C23H17F3N2O7
Exact Mass 490.098785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DVEtxWnhS7c
Name 1,3-Benzenedicarboxylic acid, 5-[[[1-hydroxy-4-[(2,2,2-trifluoroacetyl)amino]-2-naphthalenyl]carbonyl]amino]-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.098785377 u
Formula C23H17F3N2O7
InChI InChI=1S/C23H17F3N2O7/c1-34-20(31)11-7-12(21(32)35-2)9-13(8-11)27-19(30)16-10-17(28-22(33)23(24,25)26)14-5-3-4-6-15(14)18(16)29/h3-10,29H,1-2H3,(H,27,30)(H,28,33)
InChIKey NTBMFIPMRCOBDD-UHFFFAOYSA-N
Molecular Weight 490.391 g/mol
SMILES COC(=O)C1=CC(NC(=O)C2=CC(NC(=O)C(F)(F)F)=C3C(=C2O)C=CC=C3)=CC(=C1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889715