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

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N-[4-chloro-1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide
SpectraBase Compound ID IKMfgzpDHZn
InChI InChI=1S/C19H14Cl2FN7O4/c1-10-14(8-27-7-13(5-23-27)29(31)32)17(26-33-10)19(30)24-18-16(21)9-28(25-18)6-11-2-3-12(22)4-15(11)20/h2-5,7,9H,6,8H2,1H3,(H,24,25,30)
InChIKey XEOGAOGJIDYUCY-UHFFFAOYSA-N
Mol Weight 494.27 g/mol
Molecular Formula C19H14Cl2FN7O4
Exact Mass 493.046836 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3GNwmB4zsnO
Name N-[4-chloro-1-(2-chloro-4-fluorobenzyl)-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/C19H14Cl2FN7O4/c1-10-14(8-27-7-13(5-23-27)29(31)32)17(26-33-10)19(30)24-18-16(21)9-28(25-18)6-11-2-3-12(22)4-15(11)20/h2-5,7,9H,6,8H2,1H3,(H,24,25,30)
InChIKey XEOGAOGJIDYUCY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32925
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: 1911757; SBI_ID: SBI-032929
Temperature 318 °C