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5-Pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-[(4-methylphenoxy)methyl]-2-oxo-, ethyl ester
SpectraBase Compound ID IDhbBQzXQvI
InChI InChI=1S/C22H22N2O6/c1-3-27-21(25)19-16(11-28-15-7-4-13(2)5-8-15)23-22(26)24-20(19)14-6-9-17-18(10-14)30-12-29-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26)
InChIKey JSIZYHHHEIKJHC-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C22H22N2O6
Exact Mass 410.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ojrgoKjgW
Name 5-Pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-[(4-methylphenoxy)methyl]-2-oxo-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O6
InChI InChI=1S/C22H22N2O6/c1-3-27-21(25)19-16(11-28-15-7-4-13(2)5-8-15)23-22(26)24-20(19)14-6-9-17-18(10-14)30-12-29-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26)
InChIKey JSIZYHHHEIKJHC-UHFFFAOYSA-N
Molecular Weight 410.426 g/mol
SMILES N1C(NC(C(=C1COc1ccc(C)cc1)C(=O)OCC)c1cc2c(OCO2)cc1)=O
SPLASH splash10-0fb9-9841000000-6deebb5214aebf6e1fdf
Source of Spectrum IY-1-4692-5
Synonyms 4-(1,3-benzodioxol-5-yl)-6-[(4-methylphenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methylphenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methylphenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1654908