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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-, ethyl ester

View entire compound with spectra: 1 NMR

1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-, ethyl ester
SpectraBase Compound ID GeoJOhutxGn
InChI InChI=1S/C18H16N10O3S/c1-3-30-17(29)13-11(28(26-22-13)16-14(19)24-31-25-16)8-32-18-20-15-12(21-23-18)9-6-4-5-7-10(9)27(15)2/h4-7H,3,8H2,1-2H3,(H2,19,24)
InChIKey HTSNMUAVQPWAIO-UHFFFAOYSA-N
Mol Weight 452.45 g/mol
Molecular Formula C18H16N10O3S
Exact Mass 452.112756 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EFXdACSTfYh
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-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/C18H16N10O3S/c1-3-30-17(29)13-11(28(26-22-13)16-14(19)24-31-25-16)8-32-18-20-15-12(21-23-18)9-6-4-5-7-10(9)27(15)2/h4-7H,3,8H2,1-2H3,(H2,19,24)
InChIKey HTSNMUAVQPWAIO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7855
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/003027; IOH_ID: IOH-014860