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2-{[(Z)-(1-(3-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid
SpectraBase Compound ID 2DcWnHnwC3T
InChI InChI=1S/C18H12ClN3O5/c19-10-4-3-5-11(8-10)22-16(24)13(15(23)21-18(22)27)9-20-14-7-2-1-6-12(14)17(25)26/h1-9,20H,(H,25,26)(H,21,23,27)/b13-9-
InChIKey MJKMSOWAQWSIOA-LCYFTJDESA-N
Mol Weight 385.76 g/mol
Molecular Formula C18H12ClN3O5
Exact Mass 385.046548 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6IBqK8W0zul
Name 2-{[(Z)-(1-(3-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid
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/C18H12ClN3O5/c19-10-4-3-5-11(8-10)22-16(24)13(15(23)21-18(22)27)9-20-14-7-2-1-6-12(14)17(25)26/h1-9,20H,(H,25,26)(H,21,23,27)/b13-9-
InChIKey MJKMSOWAQWSIOA-LCYFTJDESA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15960
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: UZI/8056614; UBI_ID: UBI-015963
Synonyms 2-{[(1-(3-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid
Temperature 313 °C