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benzoic acid, 2-chloro-5-[[(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]-
SpectraBase Compound ID 88Vu33wPKS3
InChI InChI=1S/C12H8ClN3O5/c13-8-2-1-5(3-6(8)11(19)20)14-4-7-9(17)15-12(21)16-10(7)18/h1-4,14H,(H,19,20)(H2,15,16,17,18,21)
InChIKey VDBLVHYAGLPLQC-UHFFFAOYSA-N
Mol Weight 309.66 g/mol
Molecular Formula C12H8ClN3O5
Exact Mass 309.015248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LDKgANAUcNK
Name benzoic acid, 2-chloro-5-[[(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]-
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/C12H8ClN3O5/c13-8-2-1-5(3-6(8)11(19)20)14-4-7-9(17)15-12(21)16-10(7)18/h1-4,14H,(H,19,20)(H2,15,16,17,18,21)
InChIKey VDBLVHYAGLPLQC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1584
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-205/5057834; Labnumber: MAR-985; IOH_ID: IOH-008587