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N-[2-(difluoromethoxy)-4-fluorophenyl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide
SpectraBase Compound ID 9gpQ82AtVay
InChI InChI=1S/C16H12F3N5O5/c1-8-11(7-23-6-10(5-20-23)24(26)27)14(22-29-8)15(25)21-12-3-2-9(17)4-13(12)28-16(18)19/h2-6,16H,7H2,1H3,(H,21,25)
InChIKey XQQCYFQYAWFYKJ-UHFFFAOYSA-N
Mol Weight 411.3 g/mol
Molecular Formula C16H12F3N5O5
Exact Mass 411.079053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FMe6u8FAnZU
Name N-[2-(difluoromethoxy)-4-fluorophenyl]-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/C16H12F3N5O5/c1-8-11(7-23-6-10(5-20-23)24(26)27)14(22-29-8)15(25)21-12-3-2-9(17)4-13(12)28-16(18)19/h2-6,16H,7H2,1H3,(H,21,25)
InChIKey XQQCYFQYAWFYKJ-UHFFFAOYSA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32166
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: 1844673; SBI_ID: SBI-032170
Temperature 303 °C