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5,5-diallyldihydro-2,4,6-trioxo-1,3(2H,4H)pyrimidinediacetic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

5,5-diallyldihydro-2,4,6-trioxo-1,3(2H,4H)pyrimidinediacetic acid
SpectraBase Compound ID EWybcPi9FAm
InChI InChI=1S/C14H16N2O7/c1-3-5-14(6-4-2)11(21)15(7-9(17)18)13(23)16(12(14)22)8-10(19)20/h3-4H,1-2,5-8H2,(H,17,18)(H,19,20)
InChIKey CSTMJCPNUDBOOG-UHFFFAOYSA-N
Mol Weight 324.29 g/mol
Molecular Formula C14H16N2O7
Exact Mass 324.095751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lm9BVbhnbvA
Name 5,5-Diallyldihydro-2,4,6-trioxo-1,3(2H,4H)pyrimidinediacetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.095750856 u
Formula C14H16N2O7
InChI InChI=1S/C14H16N2O7/c1-3-5-14(6-4-2)11(21)15(7-9(17)18)13(23)16(12(14)22)8-10(19)20/h3-4H,1-2,5-8H2,(H,17,18)(H,19,20)
InChIKey CSTMJCPNUDBOOG-UHFFFAOYSA-N
Molecular Weight 324.289 g/mol
SMILES OC(CN1C(N(CC(O)=O)C(C(C1=O)(CC=C)CC=C)=O)=O)=O