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ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate

View entire compound with spectra: 2 NMR, and 1 MS (GC)

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID KajX2yUrc4c
InChI InChI=1S/C16H14N8O3S3/c1-2-26-14(25)11-10(24(22-18-11)13-12(17)20-27-21-13)8-29-15-19-23(16(28)30-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,17,20)
InChIKey HVDZSNQKBXTYGH-UHFFFAOYSA-N
Mol Weight 462.52 g/mol
Molecular Formula C16H14N8O3S3
Exact Mass 462.0351 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ClxgMd9o9N5
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4,5-dihydro-4-phenyl-5-thioxo-1,3,4-thiadiazol-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/C16H14N8O3S3/c1-2-26-14(25)11-10(24(22-18-11)13-12(17)20-27-21-13)8-29-15-19-23(16(28)30-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,17,20)
InChIKey HVDZSNQKBXTYGH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7844
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/001953; IOH_ID: IOH-014849