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4-benzyl-5-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 6zMzBq3XQiZ
InChI InChI=1S/C23H19N7O2S/c1-14-20-18(21-25-26-23(33)29(21)13-15-7-4-3-5-8-15)12-19(24-22(20)28(2)27-14)16-9-6-10-17(11-16)30(31)32/h3-12H,13H2,1-2H3,(H,26,33)
InChIKey YOLCDADUVVOFJJ-UHFFFAOYSA-N
Mol Weight 457.51 g/mol
Molecular Formula C23H19N7O2S
Exact Mass 457.132094 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 92B3OnS86E1
Name 4-benzyl-5-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-4H-1,2,4-triazol-3-yl hydrosulfide
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/C23H19N7O2S/c1-14-20-18(21-25-26-23(33)29(21)13-15-7-4-3-5-8-15)12-19(24-22(20)28(2)27-14)16-9-6-10-17(11-16)30(31)32/h3-12H,13H2,1-2H3,(H,26,33)
InChIKey YOLCDADUVVOFJJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32539
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: 1860317; SBI_ID: SBI-032543
Synonyms 4-benzyl-5-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-4H-1,2,4-triazole-3-thiol
Temperature 318 °C