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3-isoxazolecarboxamide, 5-(4-bromophenyl)-N-[1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl]-
SpectraBase Compound ID L41iE7Wnubt
InChI InChI=1S/C21H17BrN4O2/c1-14-4-2-3-5-16(14)12-26-13-18(11-23-26)24-21(27)19-10-20(28-25-19)15-6-8-17(22)9-7-15/h2-11,13H,12H2,1H3,(H,24,27)
InChIKey XFKFNPFTQYASND-UHFFFAOYSA-N
Mol Weight 437.3 g/mol
Molecular Formula C21H17BrN4O2
Exact Mass 436.053489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9og6wUBEIHa
Name 3-isoxazolecarboxamide, 5-(4-bromophenyl)-N-[1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.053488801 u
Formula C21H17BrN4O2
InChI InChI=1S/C21H17BrN4O2/c1-14-4-2-3-5-16(14)12-26-13-18(11-23-26)24-21(27)19-10-20(28-25-19)15-6-8-17(22)9-7-15/h2-11,13H,12H2,1H3,(H,24,27)
InChIKey XFKFNPFTQYASND-UHFFFAOYSA-N
Molecular Weight 437.297 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5463
Solvent DMSO-d6
Source Vendor ID: NMR/13288734