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1H-pyrazole-5-carboxamide, 1-methyl-4-nitro-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 4sILLBcNOYZ
InChI InChI=1S/C12H9F3N4O3/c1-18-10(9(6-16-18)19(21)22)11(20)17-8-4-2-3-7(5-8)12(13,14)15/h2-6H,1H3,(H,17,20)
InChIKey ALBUEUZJBISFEL-UHFFFAOYSA-N
Mol Weight 314.22 g/mol
Molecular Formula C12H9F3N4O3
Exact Mass 314.062675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EqbkDZw45sW
Name 1H-pyrazole-5-carboxamide, 1-methyl-4-nitro-N-[3-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.062674652 u
Formula C12H9F3N4O3
InChI InChI=1S/C12H9F3N4O3/c1-18-10(9(6-16-18)19(21)22)11(20)17-8-4-2-3-7(5-8)12(13,14)15/h2-6H,1H3,(H,17,20)
InChIKey ALBUEUZJBISFEL-UHFFFAOYSA-N
Molecular Weight 314.224 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1784
Solvent DMSO-d6
Source Vendor ID: ZI/7088651; Lab Info: BOS; Lab Number: BOS-mya0275
Temperature 29.85 °C