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Ethyl N-[3-(4-fluorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]valinate
SpectraBase Compound ID 83OKkX0wIFr
InChI InChI=1S/C21H22FN3O3/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 FTTQWOVIMDLMHX-SFHVURJKSA-N
Mol Weight 383.42 g/mol
Molecular Formula C21H22FN3O3
Exact Mass 383.16452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aNSDUIfMkG
Name Ethyl N-[3-(4-fluorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]valinate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22FN3O3
InChI InChI=1S/C21H22FN3O3/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 FTTQWOVIMDLMHX-SFHVURJKSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.a20
Molecular Weight 383.423 g/mol
SMILES N(C=1N(c2ccc(cc2)F)C(c2c(N1)cccc2)=O)[C@](C(OCC)=O)(C(C)C)[H]
SPLASH splash10-0a4i-1194000000-1879b5c8fa3f3d05bc0d
Source of Spectrum ARK-2009-228-6f
Wiley ID 1869656