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4-Methylbenzyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

View entire compound with spectra: 2 NMR

4-Methylbenzyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 3YoXpMv2LGy
InChI InChI=1S/C21H20N2O5/c1-12-3-5-14(6-4-12)10-26-20(24)18-13(2)22-21(25)23-19(18)15-7-8-16-17(9-15)28-11-27-16/h3-9,19H,10-11H2,1-2H3,(H2,22,23,25)
InChIKey SWMJSZGXTDWDME-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C21H20N2O5
Exact Mass 380.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 500zbn3mDDb
Name 4-Methylbenzyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.137221747 u
Formula C21H20N2O5
InChI InChI=1S/C21H20N2O5/c1-12-3-5-14(6-4-12)10-26-20(24)18-13(2)22-21(25)23-19(18)15-7-8-16-17(9-15)28-11-27-16/h3-9,19H,10-11H2,1-2H3,(H2,22,23,25)
InChIKey SWMJSZGXTDWDME-UHFFFAOYSA-N
Molecular Weight 380.400 g/mol
SMILES N1C(=C(C(NC1=O)C1=CC=C2C(=C1)OCO2)C(OCC1=CC=C(C=C1)C)=O)C