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N-[1-(2-chloro-4-fluorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide

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N-[1-(2-chloro-4-fluorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide
SpectraBase Compound ID 1kIfZT9tu1E
InChI InChI=1S/C20H17ClFN7O4/c1-11-5-18(25-28(11)8-13-3-4-14(22)6-17(13)21)24-20(30)19-16(12(2)33-26-19)10-27-9-15(7-23-27)29(31)32/h3-7,9H,8,10H2,1-2H3,(H,24,25,30)
InChIKey HRZCNNLJTRIUIX-UHFFFAOYSA-N
Mol Weight 473.85 g/mol
Molecular Formula C20H17ClFN7O4
Exact Mass 473.101458 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1uabYtC6nfI
Name N-[1-(2-chloro-4-fluorobenzyl)-5-methyl-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/C20H17ClFN7O4/c1-11-5-18(25-28(11)8-13-3-4-14(22)6-17(13)21)24-20(30)19-16(12(2)33-26-19)10-27-9-15(7-23-27)29(31)32/h3-7,9H,8,10H2,1-2H3,(H,24,25,30)
InChIKey HRZCNNLJTRIUIX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32723
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: 1911458; SBI_ID: SBI-032727
Temperature 318 °C