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3-(3-methyl-1H-pyrazol-5-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID JDISap9LFIg
InChI InChI=1S/C14H11N7O2S/c1-8-6-11(16-15-8)13-17-18-14-20(13)19-12(7-24-14)9-2-4-10(5-3-9)21(22)23/h2-6H,7H2,1H3,(H,15,16)
InChIKey KLKRWMSUFXNYGI-UHFFFAOYSA-N
Mol Weight 341.35 g/mol
Molecular Formula C14H11N7O2S
Exact Mass 341.069494 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HUgQHCgcWWn
Name 3-(3-methyl-1H-pyrazol-5-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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/C14H11N7O2S/c1-8-6-11(16-15-8)13-17-18-14-20(13)19-12(7-24-14)9-2-4-10(5-3-9)21(22)23/h2-6H,7H2,1H3,(H,15,16)
InChIKey KLKRWMSUFXNYGI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10590
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: E00695; Labnumber: GRES-23220; SBI_ID: SBI-010593
Temperature 318 °C