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Cyclooctyl 3,4-dihydro-4-(4-methoxyphenyl)-6-methyl-2(1H)-oxopyrimidine-5-carboxylate
SpectraBase Compound ID 14986osAD9u
InChI InChI=1S/C21H28N2O4/c1-14-18(20(24)27-17-8-6-4-3-5-7-9-17)19(23-21(25)22-14)15-10-12-16(26-2)13-11-15/h10-13,17,19H,3-9H2,1-2H3,(H2,22,23,25)
InChIKey YENQTFHBAXRKCL-UHFFFAOYSA-N
Mol Weight 372.47 g/mol
Molecular Formula C21H28N2O4
Exact Mass 372.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vhIEne6ee
Name Cyclooctyl 3,4-dihydro-4-(4-methoxyphenyl)-6-methyl-2(1H)-oxopyrimidine-5-carboxylate
CAS Registry Number 295344-34-2
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O4
InChI InChI=1S/C21H28N2O4/c1-14-18(20(24)27-17-8-6-4-3-5-7-9-17)19(23-21(25)22-14)15-10-12-16(26-2)13-11-15/h10-13,17,19H,3-9H2,1-2H3,(H2,22,23,25)
InChIKey YENQTFHBAXRKCL-UHFFFAOYSA-N
Molecular Weight 372.465 g/mol
SMILES N1C(NC(C(=C1C)C(OC1CCCCCCC1)=O)c1ccc(cc1)OC)=O
SPLASH splash10-07bf-9440000000-db5ad1a66afcb9f1af2b
Synonyms Cyclooctyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate cyclooctyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate cyclooctyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate cyclooctyl 6-(4-methoxyphenyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5-carbo xylate
Wiley ID 1469640