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N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide
SpectraBase Compound ID 4NU9IMNOvC9
InChI InChI=1S/C21H20ClN7O4/c1-12-19(13(2)28(25-12)9-15-4-6-16(22)7-5-15)24-21(30)20-18(14(3)33-26-20)11-27-10-17(8-23-27)29(31)32/h4-8,10H,9,11H2,1-3H3,(H,24,30)
InChIKey JZJJACRDTLNSQW-UHFFFAOYSA-N
Mol Weight 469.89 g/mol
Molecular Formula C21H20ClN7O4
Exact Mass 469.12653 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2va05dfRi2x
Name N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-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/C21H20ClN7O4/c1-12-19(13(2)28(25-12)9-15-4-6-16(22)7-5-15)24-21(30)20-18(14(3)33-26-20)11-27-10-17(8-23-27)29(31)32/h4-8,10H,9,11H2,1-3H3,(H,24,30)
InChIKey JZJJACRDTLNSQW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32730
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: 1911468; SBI_ID: SBI-032734
Temperature 318 °C