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(5Z)-1-(3-chlorophenyl)-5-[(2-hydroxyanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID CSE6giV1SSV
InChI InChI=1S/C17H12ClN3O4/c18-10-4-3-5-11(8-10)21-16(24)12(15(23)20-17(21)25)9-19-13-6-1-2-7-14(13)22/h1-9,19,22H,(H,20,23,25)/b12-9-
InChIKey HWALCFNSDQLWLV-XFXZXTDPSA-N
Mol Weight 357.75 g/mol
Molecular Formula C17H12ClN3O4
Exact Mass 357.051634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GjeuVE9hoh
Name (5Z)-1-(3-Chlorophenyl)-5-[(2-hydroxyanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.051633574 u
Formula C17H12ClN3O4
InChI InChI=1S/C17H12ClN3O4/c18-10-4-3-5-11(8-10)21-16(24)12(15(23)20-17(21)25)9-19-13-6-1-2-7-14(13)22/h1-9,19,22H,(H,20,23,25)/b12-9-
InChIKey HWALCFNSDQLWLV-XFXZXTDPSA-N
Molecular Weight 357.753 g/mol
SMILES N(\C=C/1C(N(C(NC1=O)=O)C=1C=C(Cl)C=CC1)=O)C1=C(C=CC=C1)O