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Cyclopentyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID Az80lmtDadi
InChI InChI=1S/C18H22N2O4/c1-11-15(17(21)24-12-7-3-4-8-12)16(20-18(22)19-11)13-9-5-6-10-14(13)23-2/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H2,19,20,22)
InChIKey JVHMEZVZCPEPAC-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgcGnvO9ZR6
Name Cyclopentyl 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 330.157957192 u
Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c1-11-15(17(21)24-12-7-3-4-8-12)16(20-18(22)19-11)13-9-5-6-10-14(13)23-2/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H2,19,20,22)
InChIKey JVHMEZVZCPEPAC-UHFFFAOYSA-N
SMILES N1C(NC(=C(C1C=1C(OC)=CC=CC1)C(OC1CCCC1)=O)C)=O