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1H-1,2,3-triazole-4,5-dicarboxylic acid, 1-[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]-, diethyl ester
SpectraBase Compound ID Bnahb80o7qS
InChI InChI=1S/C17H17F3N4O5/c1-3-28-15(26)13-14(16(27)29-4-2)24(23-22-13)9-12(25)21-11-8-6-5-7-10(11)17(18,19)20/h5-8H,3-4,9H2,1-2H3,(H,21,25)
InChIKey HMEXPRATOVKBCS-UHFFFAOYSA-N
Mol Weight 414.34 g/mol
Molecular Formula C17H17F3N4O5
Exact Mass 414.115104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2NOM5sP4L7d
Name 1H-1,2,3-triazole-4,5-dicarboxylic acid, 1-[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]-, diethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.115104147 u
Formula C17H17F3N4O5
InChI InChI=1S/C17H17F3N4O5/c1-3-28-15(26)13-14(16(27)29-4-2)24(23-22-13)9-12(25)21-11-8-6-5-7-10(11)17(18,19)20/h5-8H,3-4,9H2,1-2H3,(H,21,25)
InChIKey HMEXPRATOVKBCS-UHFFFAOYSA-N
Molecular Weight 414.341 g/mol
NMR Offset 17.9973
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8084
Solvent DMSO-d6
Source Vendor ID: NMR/13309075