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6-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID L8HM8z0LnQl
InChI InChI=1S/C8H4F3N7O2S/c9-8(10,11)6-13-14-7-17(6)15-5(21-7)3-16-2-4(1-12-16)18(19)20/h1-2H,3H2
InChIKey FRVXHIPGSHQTRO-UHFFFAOYSA-N
Mol Weight 319.22 g/mol
Molecular Formula C8H4F3N7O2S
Exact Mass 319.009928 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EMe6zegTxmC
Name 6-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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/C8H4F3N7O2S/c9-8(10,11)6-13-14-7-17(6)15-5(21-7)3-16-2-4(1-12-16)18(19)20/h1-2H,3H2
InChIKey FRVXHIPGSHQTRO-UHFFFAOYSA-N
NMR Offset 19.5782
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33736
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: 1996446; SBI_ID: SBI-033740
Temperature 315 °C