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methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate

View entire compound with spectra: 2 NMR

methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID 9nH43Dyf3uR
InChI InChI=1S/C10H11N9O3S/c1-18-4-12-14-10(18)23-3-5-6(9(20)21-2)13-17-19(5)8-7(11)15-22-16-8/h4H,3H2,1-2H3,(H2,11,15)
InChIKey YBYHUEQPUZSGDD-UHFFFAOYSA-N
Mol Weight 337.32 g/mol
Molecular Formula C10H11N9O3S
Exact Mass 337.070556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 79XUEGNnxqP
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-, methyl 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/C10H11N9O3S/c1-18-4-12-14-10(18)23-3-5-6(9(20)21-2)13-17-19(5)8-7(11)15-22-16-8/h4H,3H2,1-2H3,(H2,11,15)
InChIKey YBYHUEQPUZSGDD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7848
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/001971; IOH_ID: IOH-014853