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

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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxyphenyl)-6-methyl-2-oxo-, butyl ester
SpectraBase Compound ID 6HHW3RPxzd5
InChI InChI=1S/C17H22N2O4/c1-4-5-9-23-16(20)14-11(2)18-17(21)19-15(14)12-7-6-8-13(10-12)22-3/h6-8,10,15H,4-5,9H2,1-3H3,(H2,18,19,21)
InChIKey UHGGKIPHZIOAFJ-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C17H22N2O4
Exact Mass 318.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfOq5HdjEkt
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxyphenyl)-6-methyl-2-oxo-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.157957192 u
Formula C17H22N2O4
InChI InChI=1S/C17H22N2O4/c1-4-5-9-23-16(20)14-11(2)18-17(21)19-15(14)12-7-6-8-13(10-12)22-3/h6-8,10,15H,4-5,9H2,1-3H3,(H2,18,19,21)
InChIKey UHGGKIPHZIOAFJ-UHFFFAOYSA-N
SMILES N1C(NC(=C(C1C=1C=C(OC)C=CC1)C(=O)OCCCC)C)=O