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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-, (tetrahydro-2-furanyl)methyl ester

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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-, (tetrahydro-2-furanyl)methyl ester
SpectraBase Compound ID Ght36G5JNXP
InChI InChI=1S/C18H22N2O6/c1-10-15(17(22)26-9-12-4-3-7-25-12)16(20-18(23)19-10)11-5-6-13(21)14(8-11)24-2/h5-6,8,12,16,21H,3-4,7,9H2,1-2H3,(H2,19,20,23)
InChIKey IRNWOUFPLWFKBW-UHFFFAOYSA-N
Mol Weight 362.38 g/mol
Molecular Formula C18H22N2O6
Exact Mass 362.147786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZ2pX3uWd5o
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-, (tetrahydro-2-furanyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.147786430 u
Formula C18H22N2O6
InChI InChI=1S/C18H22N2O6/c1-10-15(17(22)26-9-12-4-3-7-25-12)16(20-18(23)19-10)11-5-6-13(21)14(8-11)24-2/h5-6,8,12,16,21H,3-4,7,9H2,1-2H3,(H2,19,20,23)
InChIKey IRNWOUFPLWFKBW-UHFFFAOYSA-N
SMILES N1C(NC(=C(C1C1=CC=C(C(=C1)OC)O)C(OCC1OCCC1)=O)C)=O