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N-[1-(4-bromobenzyl)-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide
SpectraBase Compound ID FVfD1xZafKT
InChI InChI=1S/C19H16BrN7O4/c1-12-16(11-26-10-15(8-21-26)27(29)30)18(24-31-12)19(28)22-17-6-7-25(23-17)9-13-2-4-14(20)5-3-13/h2-8,10H,9,11H2,1H3,(H,22,23,28)
InChIKey FDHYGCAQPOCLOK-UHFFFAOYSA-N
Mol Weight 486.29 g/mol
Molecular Formula C19H16BrN7O4
Exact Mass 485.044715 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HyTiNbVCYV0
Name N-[1-(4-bromobenzyl)-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-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/C19H16BrN7O4/c1-12-16(11-26-10-15(8-21-26)27(29)30)18(24-31-12)19(28)22-17-6-7-25(23-17)9-13-2-4-14(20)5-3-13/h2-8,10H,9,11H2,1H3,(H,22,23,28)
InChIKey FDHYGCAQPOCLOK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32761
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: 1911511; SBI_ID: SBI-032765
Temperature 318 °C