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2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}-5-nitrobenzoic acid
SpectraBase Compound ID 8v9eiA3uwxs
InChI InChI=1S/C16H16N2O6/c1-16(2)6-13(19)11(14(20)7-16)8-17-12-4-3-9(18(23)24)5-10(12)15(21)22/h3-5,8,17H,6-7H2,1-2H3,(H,21,22)
InChIKey MHDHYZNRYBGQPQ-UHFFFAOYSA-N
Mol Weight 332.31 g/mol
Molecular Formula C16H16N2O6
Exact Mass 332.100836 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID obwOVLfNgb
Name 2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}-5-nitrobenzoic 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 332.100836237 u
Formula C16H16N2O6
InChI InChI=1S/C16H16N2O6/c1-16(2)6-13(19)11(14(20)7-16)8-17-12-4-3-9(18(23)24)5-10(12)15(21)22/h3-5,8,17H,6-7H2,1-2H3,(H,21,22)
InChIKey MHDHYZNRYBGQPQ-UHFFFAOYSA-N
Molecular Weight 332.312 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1583
Solvent DMSO-d6
Source Vendor ID: NMR/12278096