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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-, ethyl ester

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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-, ethyl ester
SpectraBase Compound ID L5SKCPMNoE
InChI InChI=1S/C12H14N8O3S/c1-3-22-11(21)8-7(6-24-12-14-4-5-19(12)2)20(18-15-8)10-9(13)16-23-17-10/h4-5H,3,6H2,1-2H3,(H2,13,16)
InChIKey SPDPEGWCMSBUTE-UHFFFAOYSA-N
Mol Weight 350.36 g/mol
Molecular Formula C12H14N8O3S
Exact Mass 350.090958 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JptCofpIaTH
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H14N8O3S/c1-3-22-11(21)8-7(6-24-12-14-4-5-19(12)2)20(18-15-8)10-9(13)16-23-17-10/h4-5H,3,6H2,1-2H3,(H2,13,16)
InChIKey SPDPEGWCMSBUTE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7803
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZERO/001928; IOH_ID: IOH-014808