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1-Phenyl-3-methyl-4-methoxycarbonylmethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidone
SpectraBase Compound ID 7s9uTGF630M
InChI InChI=1S/C14H18N2O3/c1-15-12(10-13(17)19-2)8-9-16(14(15)18)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey PEMYMPMAXINQNC-UHFFFAOYSA-N
Mol Weight 262.31 g/mol
Molecular Formula C14H18N2O3
Exact Mass 262.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5yIv23XikL
Name 4-Pyrimidineacetic acid, hexahydro-3-methyl-2-oxo-1-phenyl-, methyl ester, (.+-.)-
Alternate Name(s) 1-Phenyl-3-methyl-4-[(methoxycarbonyl)methyl]-3,4,5,6-tetrahydro-2-(1H)-pyrimidine 1-phenyl-3-methyl-4-[(methoxycarbonyl)methyl]-3,4,5,6-tetrahydro-2-(1H)-pyrimidone methyl (3-methyl-2-oxo-1-phenylhexahydro-4-pyrimidinyl)acetate
CAS Registry Number 114445-12-4
Comments Less than 3 mono-isotopic peaks
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Formula C14H18N2O3
InChI InChI=1S/C14H18N2O3/c1-15-12(10-13(17)19-2)8-9-16(14(15)18)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey PEMYMPMAXINQNC-UHFFFAOYSA-N
Molecular Weight 262.309 g/mol
SMILES C1(N(CCC(N1C)CC(=O)OC)c1ccccc1)=O
SPLASH splash10-01p9-0950000000-e260d72c4d93f9b114a0
Source of Spectrum C-110-4000-0
Wiley ID 1265725