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ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID 9vzeNHkuWJY
InChI InChI=1S/C14H16N8O3S/c1-4-24-13(23)10-9(6-26-14-16-7(2)5-8(3)17-14)22(21-18-10)12-11(15)19-25-20-12/h5H,4,6H2,1-3H3,(H2,15,19)
InChIKey CRXUZWSRQRRNPK-UHFFFAOYSA-N
Mol Weight 376.4 g/mol
Molecular Formula C14H16N8O3S
Exact Mass 376.106608 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K1sLruNQRQO
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4,6-dimethyl-2-pyrimidinyl)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/C14H16N8O3S/c1-4-24-13(23)10-9(6-26-14-16-7(2)5-8(3)17-14)22(21-18-10)12-11(15)19-25-20-12/h5H,4,6H2,1-3H3,(H2,15,19)
InChIKey CRXUZWSRQRRNPK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7842
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/003026; IOH_ID: IOH-014847