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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester

View entire compound with spectra: 2 NMR

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester
SpectraBase Compound ID DhjsgMPCuyu
InChI InChI=1S/C24H26N2O7/c1-4-9-30-17-8-6-16(11-19(17)29-3)22-21(14(2)25-24(28)26-22)23(27)31-12-15-5-7-18-20(10-15)33-13-32-18/h5-8,10-11,22H,4,9,12-13H2,1-3H3,(H2,25,26,28)
InChIKey GFBUHJPVFUXPMT-UHFFFAOYSA-N
Mol Weight 454.48 g/mol
Molecular Formula C24H26N2O7
Exact Mass 454.174001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhzUsvXBcPU
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.174001178 u
Formula C24H26N2O7
InChI InChI=1S/C24H26N2O7/c1-4-9-30-17-8-6-16(11-19(17)29-3)22-21(14(2)25-24(28)26-22)23(27)31-12-15-5-7-18-20(10-15)33-13-32-18/h5-8,10-11,22H,4,9,12-13H2,1-3H3,(H2,25,26,28)
InChIKey GFBUHJPVFUXPMT-UHFFFAOYSA-N
Molecular Weight 454.479 g/mol
SMILES N1C(NC(=C(C1C=1C=C(OC)C(=CC1)OCCC)C(OCC=1C=C2OCOC2=CC1)=O)C)=O