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Cycloheptyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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Cycloheptyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 83rvvGQx2zd
InChI InChI=1S/C20H26N2O4/c1-13-17(19(23)26-14-9-5-3-4-6-10-14)18(22-20(24)21-13)15-11-7-8-12-16(15)25-2/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3,(H2,21,22,24)
InChIKey WZFPSUQOLKFKAK-UHFFFAOYSA-N
Mol Weight 358.44 g/mol
Molecular Formula C20H26N2O4
Exact Mass 358.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ir3KM0Yzr0B
Name Cycloheptyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 358.189257321 u
Formula C20H26N2O4
InChI InChI=1S/C20H26N2O4/c1-13-17(19(23)26-14-9-5-3-4-6-10-14)18(22-20(24)21-13)15-11-7-8-12-16(15)25-2/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3,(H2,21,22,24)
InChIKey WZFPSUQOLKFKAK-UHFFFAOYSA-N
Molecular Weight 358.438 g/mol
SMILES N1C(NC(=C(C1C=1C(OC)=CC=CC1)C(OC1CCCCCC1)=O)C)=O