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5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-3-isoxazolecarboxamide
SpectraBase Compound ID DbTHJLw2cAD
InChI InChI=1S/C19H12F5N7O4/c1-8-11(6-30-5-10(3-26-30)31(33)34)18(28-35-8)19(32)27-9-2-25-29(4-9)7-12-13(20)15(22)17(24)16(23)14(12)21/h2-5H,6-7H2,1H3,(H,27,32)
InChIKey KDBRSPMUZVPHDX-UHFFFAOYSA-N
Mol Weight 497.34 g/mol
Molecular Formula C19H12F5N7O4
Exact Mass 497.087093 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DT0r2WvNqqD
Name 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-3-isoxazolecarboxamide
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/C19H12F5N7O4/c1-8-11(6-30-5-10(3-26-30)31(33)34)18(28-35-8)19(32)27-9-2-25-29(4-9)7-12-13(20)15(22)17(24)16(23)14(12)21/h2-5H,6-7H2,1H3,(H,27,32)
InChIKey KDBRSPMUZVPHDX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33194
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: 1912184; SBI_ID: SBI-033198
Temperature 318 °C