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1H-1,2,3-triazole-4,5-dicarboxylic acid, 1-[2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]-, dimethyl ester
SpectraBase Compound ID IgzPZPkplzU
InChI InChI=1S/C16H16N4O7/c1-24-15(22)13-14(16(23)25-2)20(19-18-13)8-12(21)17-9-3-4-10-11(7-9)27-6-5-26-10/h3-4,7H,5-6,8H2,1-2H3,(H,17,21)
InChIKey XOTZSGPWWIOIHX-UHFFFAOYSA-N
Mol Weight 376.33 g/mol
Molecular Formula C16H16N4O7
Exact Mass 376.101899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IXl7tRwtW43
Name 1H-1,2,3-triazole-4,5-dicarboxylic acid, 1-[2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]-, dimethyl 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 376.101898864 u
Formula C16H16N4O7
InChI InChI=1S/C16H16N4O7/c1-24-15(22)13-14(16(23)25-2)20(19-18-13)8-12(21)17-9-3-4-10-11(7-9)27-6-5-26-10/h3-4,7H,5-6,8H2,1-2H3,(H,17,21)
InChIKey XOTZSGPWWIOIHX-UHFFFAOYSA-N
Molecular Weight 376.325 g/mol
NMR Offset 17.9973
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8083
Solvent DMSO-d6
Source Vendor ID: NMR/13309074