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2-{2-methoxy-4-[(E)-(1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetamide
SpectraBase Compound ID Ebyi4ibGMgw
InChI InChI=1S/C21H19N3O7/c1-29-14-6-4-13(5-7-14)24-20(27)15(19(26)23-21(24)28)9-12-3-8-16(17(10-12)30-2)31-11-18(22)25/h3-10H,11H2,1-2H3,(H2,22,25)(H,23,26,28)/b15-9+
InChIKey PYKUJWKOTDMNRI-OQLLNIDSSA-N
Mol Weight 425.4 g/mol
Molecular Formula C21H19N3O7
Exact Mass 425.1223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8ymASPqlVB
Name 2-{2-Methoxy-4-[(E)-(1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.122299957 u
Formula C21H19N3O7
InChI InChI=1S/C21H19N3O7/c1-29-14-6-4-13(5-7-14)24-20(27)15(19(26)23-21(24)28)9-12-3-8-16(17(10-12)30-2)31-11-18(22)25/h3-10H,11H2,1-2H3,(H2,22,25)(H,23,26,28)/b15-9+
InChIKey PYKUJWKOTDMNRI-OQLLNIDSSA-N
Molecular Weight 425.397 g/mol
SMILES NC(COC=1C(=CC(\C=C\2C(N(C(NC2=O)=O)C=2C=CC(OC)=CC2)=O)=CC1)OC)=O