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(1R,2R)-Diethyl 1-(2-isopropyl-4-oxo-3,4-dihydroquinazolin-3-yl)aziridine-2,3-dicarboxylate isomer
SpectraBase Compound ID D00ypNXRyAq
InChI InChI=1S/C19H23N3O5/c1-5-26-18(24)14-15(19(25)27-6-2)21(14)22-16(11(3)4)20-13-10-8-7-9-12(13)17(22)23/h7-11,14-15H,5-6H2,1-4H3/t14-,15?,21?/m1/s1
InChIKey JEPFSERDYCICEQ-UMRPUCSYSA-N
Mol Weight 373.41 g/mol
Molecular Formula C19H23N3O5
Exact Mass 373.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76ldQljm6vu
Name (1R,2R)-Diethyl 1-(2-isopropyl-4-oxo-3,4-dihydroquinazolin-3-yl)aziridine-2,3-dicarboxylate isomer
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Formula C19H23N3O5
InChI InChI=1S/C19H23N3O5/c1-5-26-18(24)14-15(19(25)27-6-2)21(14)22-16(11(3)4)20-13-10-8-7-9-12(13)17(22)23/h7-11,14-15H,5-6H2,1-4H3/t14-,15?,21?/m1/s1
InChIKey JEPFSERDYCICEQ-UMRPUCSYSA-N
Molecular Weight 373.409 g/mol
SMILES C=1(N(N2[C@@](C(=O)OCC)(C2C(=O)OCC)[H])C(c2c(N1)cccc2)=O)C(C)C
SPLASH splash10-0fkj-2903000000-e45883d7022ed781db52
Source of Spectrum KC-0-588-28
Synonyms (1R,2R)-1-(2-Isopropyl-4-oxo-4H-quinazolin-3-yl)-aziridine-2,3-dicarboxylic acid diethyl ester Diethyl (2R,3R)-1-(2-isopropyl-4-oxo-3(4H)-quinazolinyl)-2,3-aziridinedicarboxylate Diethyl 1-(2-isopropyl-4-oxo-3,4-dihydroquinazolin-3-yl)aziridine-2,3-dicarboxylate isomer Diethyl 1-(2-isopropyl-4-oxo-3,4-dihydroquinazolin-3-yl)aziridine-2,3-dicarboxylate Diethyl 1-(2-isopropyl-4-oxo-3,4-dihydroquinazolin-3-yl)azirine-2,3-dicarboxylate Diethyl 1-(2-isopropyl-4-oxo-3,4-dihydroquinazolin-3-yl)azirine-2,3-dicarboxylate isomer
Wiley ID 824287