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benzoic acid, 2-[(E)-2-(2,6-dihydroxy-5-nitro-4-pyrimidinyl)ethenyl]-, methyl ester
SpectraBase Compound ID 99twiai7uUx
InChI InChI=1S/C14H11N3O6/c1-23-13(19)9-5-3-2-4-8(9)6-7-10-11(17(21)22)12(18)16-14(20)15-10/h2-7H,1H3,(H2,15,16,18,20)/b7-6+
InChIKey KREZSTWBWDRWCT-VOTSOKGWSA-N
Mol Weight 317.26 g/mol
Molecular Formula C14H11N3O6
Exact Mass 317.064785 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fty63VoOVTO
Name benzoic acid, 2-[(E)-2-(2,6-dihydroxy-5-nitro-4-pyrimidinyl)ethenyl]-, methyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H11N3O6/c1-23-13(19)9-5-3-2-4-8(9)6-7-10-11(17(21)22)12(18)16-14(20)15-10/h2-7H,1H3,(H2,15,16,18,20)/b7-6+
InChIKey KREZSTWBWDRWCT-VOTSOKGWSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5577
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: AG-205/5103229; Labnumber: SAD-y2182; IOH_ID: IOH-012580