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

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N-[1-(2-chloro-4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide
SpectraBase Compound ID IjVrAX6quKk
InChI InChI=1S/C21H19ClFN7O4/c1-11-19(12(2)29(26-11)8-14-4-5-15(23)6-18(14)22)25-21(31)20-17(13(3)34-27-20)10-28-9-16(7-24-28)30(32)33/h4-7,9H,8,10H2,1-3H3,(H,25,31)
InChIKey XLIWKPXJXHSAEU-UHFFFAOYSA-N
Mol Weight 487.88 g/mol
Molecular Formula C21H19ClFN7O4
Exact Mass 487.117108 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EXO8ay54hNK
Name N-[1-(2-chloro-4-fluorobenzyl)-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/C21H19ClFN7O4/c1-11-19(12(2)29(26-11)8-14-4-5-15(23)6-18(14)22)25-21(31)20-17(13(3)34-27-20)10-28-9-16(7-24-28)30(32)33/h4-7,9H,8,10H2,1-3H3,(H,25,31)
InChIKey XLIWKPXJXHSAEU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32784
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: 1911546; SBI_ID: SBI-032788
Temperature 318 °C