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2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}nicotinic acid
SpectraBase Compound ID 1655SJ9oCBJ
InChI InChI=1S/C15H16N2O4/c1-15(2)6-11(18)10(12(19)7-15)8-17-13-9(14(20)21)4-3-5-16-13/h3-5,8H,6-7H2,1-2H3,(H,16,17)(H,20,21)
InChIKey RTWNQIWMUSAOOR-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C15H16N2O4
Exact Mass 288.111007 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8VwU82EgDIN
Name 2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}nicotinic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.111006999 u
Formula C15H16N2O4
InChI InChI=1S/C15H16N2O4/c1-15(2)6-11(18)10(12(19)7-15)8-17-13-9(14(20)21)4-3-5-16-13/h3-5,8H,6-7H2,1-2H3,(H,16,17)(H,20,21)
InChIKey RTWNQIWMUSAOOR-UHFFFAOYSA-N
Molecular Weight 288.303 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1581
Solvent DMSO-d6
Source Vendor ID: NMR/12278094