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6-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID A2AybmKBwKZ
InChI InChI=1S/C10H8F3N7O2S/c1-4-7(20(21)22)5(2)18(16-4)3-6-17-19-8(10(11,12)13)14-15-9(19)23-6/h3H2,1-2H3
InChIKey JUINGUCUIGFSKV-UHFFFAOYSA-N
Mol Weight 347.28 g/mol
Molecular Formula C10H8F3N7O2S
Exact Mass 347.041228 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CmF6ietDQj0
Name 6-[(3,5-dimethyl-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/C10H8F3N7O2S/c1-4-7(20(21)22)5(2)18(16-4)3-6-17-19-8(10(11,12)13)14-15-9(19)23-6/h3H2,1-2H3
InChIKey JUINGUCUIGFSKV-UHFFFAOYSA-N
NMR Offset 19.5782
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33765
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: 1996497; SBI_ID: SBI-033769
Temperature 315 °C