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3-(difluoromethyl)-6-(4-iodo-1-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 4Er1fQkAzIH
InChI InChI=1S/C8H5F2IN6S/c1-16-4(3(11)2-12-16)7-15-17-6(5(9)10)13-14-8(17)18-7/h2,5H,1H3
InChIKey KBUGHUSVRDIWMB-UHFFFAOYSA-N
Mol Weight 382.13 g/mol
Molecular Formula C8H5F2IN6S
Exact Mass 381.930917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9TgwuBrylDe
Name 3-(difluoromethyl)-6-(4-iodo-1-methyl-1H-pyrazol-5-yl)[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/C8H5F2IN6S/c1-16-4(3(11)2-12-16)7-15-17-6(5(9)10)13-14-8(17)18-7/h2,5H,1H3
InChIKey KBUGHUSVRDIWMB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33556
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: 1996079; SBI_ID: SBI-033560
Temperature 318 °C