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2-Chloranyl-4,6-dimethyl-5-nitro-N-[[2-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
SpectraBase Compound ID 111daNI1bDR
InChI InChI=1S/C16H12ClF3N4O4/c1-7-11(13(17)21-8(2)12(7)24(27)28)14(25)23-15(26)22-10-6-4-3-5-9(10)16(18,19)20/h3-6H,1-2H3,(H2,22,23,25,26)
InChIKey HYQQIOGQFZYEFY-UHFFFAOYSA-N
Mol Weight 416.74 g/mol
Molecular Formula C16H12ClF3N4O4
Exact Mass 416.049917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CNcxNKWkyQi
Name urea, N-[(2-chloro-4,6-dimethyl-5-nitro-3-pyridinyl)carbonyl]-N'-[2-(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 416.049917067 u
Formula C16H12ClF3N4O4
InChI InChI=1S/C16H12ClF3N4O4/c1-7-11(13(17)21-8(2)12(7)24(27)28)14(25)23-15(26)22-10-6-4-3-5-9(10)16(18,19)20/h3-6H,1-2H3,(H2,22,23,25,26)
InChIKey HYQQIOGQFZYEFY-UHFFFAOYSA-N
Molecular Weight 416.744 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4820
Solvent DMSO-d6
Source Vendor ID: NMR/9322030; Lab Info: KE; Lab Number: KE-D001008