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Ethyl N-[3-(4-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]valinate
SpectraBase Compound ID DrKJjHce2wW
InChI InChI=1S/C21H22ClN3O3/c1-4-28-20(27)18(13(2)3)24-21-23-17-8-6-5-7-16(17)19(26)25(21)15-11-9-14(22)10-12-15/h5-13,18H,4H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKey OHNYIIHQCRGOPL-SFHVURJKSA-N
Mol Weight 399.88 g/mol
Molecular Formula C21H22ClN3O3
Exact Mass 399.134969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpVpbFSZcbO
Name Ethyl N-[3-(4-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]valinate
Appearance Colorless oil
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Formula C21H22ClN3O3
InChI InChI=1S/C21H22ClN3O3/c1-4-28-20(27)18(13(2)3)24-21-23-17-8-6-5-7-16(17)19(26)25(21)15-11-9-14(22)10-12-15/h5-13,18H,4H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKey OHNYIIHQCRGOPL-SFHVURJKSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.a20
Molecular Weight 399.878 g/mol
SMILES N(C=1N(c2ccc(cc2)Cl)C(c2c(N1)cccc2)=O)[C@](C(OCC)=O)(C(C)C)[H]
SPLASH splash10-02fx-0940000000-8bb5388f079b867da038
Source of Spectrum ARK-2009-227-6e
Wiley ID 1869655