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Methyl 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-(1-acetoxy-2-methylpropyl)aziridine-2-carboxylate isomer
SpectraBase Compound ID AQxENXsfzKG
InChI InChI=1S/C20H25N3O5/c1-6-15-21-14-10-8-7-9-13(14)19(25)22(15)23-16(17(23)20(26)27-5)18(11(2)3)28-12(4)24/h7-11,16-18H,6H2,1-5H3/t16-,17?,18-,23?/m1/s1
InChIKey OTSCPTHKCNLANV-ZRSCRABMSA-N
Mol Weight 387.44 g/mol
Molecular Formula C20H25N3O5
Exact Mass 387.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7ulsjtVqMr
Name Methyl 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-(1-acetoxy-2-methylpropyl)aziridine-2-carboxylate isomer
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Formula C20H25N3O5
InChI InChI=1S/C20H25N3O5/c1-6-15-21-14-10-8-7-9-13(14)19(25)22(15)23-16(17(23)20(26)27-5)18(11(2)3)28-12(4)24/h7-11,16-18H,6H2,1-5H3/t16-,17?,18-,23?/m1/s1
InChIKey OTSCPTHKCNLANV-ZRSCRABMSA-N
Molecular Weight 387.436 g/mol
SMILES C1(N(N2[C@]([C@](OC(=O)C)(C(C)C)[H])([H])C2C(=O)OC)C(=Nc2ccccc12)CC)=O
SPLASH splash10-01e9-0972000000-e0ba8025452bfd7cae2e
Source of Spectrum KC-0-1956-14
Synonyms (R)-Methyl 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-((R)-1-acetoxy-2-methylpropyl)aziridine-2-carboxylate isomer
Wiley ID 786260