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5-Pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, propyl ester

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5-Pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, propyl ester
SpectraBase Compound ID LbCNJCMD3bm
InChI InChI=1S/C16H18N2O5/c1-3-6-21-15(19)13-9(2)17-16(20)18-14(13)10-4-5-11-12(7-10)23-8-22-11/h4-5,7,14H,3,6,8H2,1-2H3,(H2,17,18,20)
InChIKey PNVFPUOXXIJZFC-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C16H18N2O5
Exact Mass 318.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGN7WlJ8x4V
Name 5-Pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.121571683 u
Formula C16H18N2O5
InChI InChI=1S/C16H18N2O5/c1-3-6-21-15(19)13-9(2)17-16(20)18-14(13)10-4-5-11-12(7-10)23-8-22-11/h4-5,7,14H,3,6,8H2,1-2H3,(H2,17,18,20)
InChIKey PNVFPUOXXIJZFC-UHFFFAOYSA-N
Molecular Weight 318.329 g/mol
SMILES N1C(NC(=C(C1C=1C=C2OCOC2=CC1)C(=O)OCCC)C)=O