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(3-(4'-Methoxyphenyl)-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid
SpectraBase Compound ID 7ru5D8kh7iS
InChI InChI=1S/C20H16N4O4/c1-28-13-8-6-12(7-9-13)18-20(27)22-19-14-4-2-3-5-15(14)21-16(24(19)23-18)10-11-17(25)26/h2-9H,10-11H2,1H3,(H,25,26)
InChIKey CTFOTUPKMHKXMG-UHFFFAOYSA-N
Mol Weight 376.37 g/mol
Molecular Formula C20H16N4O4
Exact Mass 376.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SpQeHT8a
Name (3-(4'-Methoxyphenyl)-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N4O4
InChI InChI=1S/C20H16N4O4/c1-28-13-8-6-12(7-9-13)18-20(27)22-19-14-4-2-3-5-15(14)21-16(24(19)23-18)10-11-17(25)26/h2-9H,10-11H2,1H3,(H,25,26)
InChIKey CTFOTUPKMHKXMG-UHFFFAOYSA-N
Instrument Name Varian 1200 L
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2120
Molecular Weight 376.372 g/mol
SMILES OC(CCC=1N2C(=NC(C(c3ccc(cc3)OC)=N2)=O)c2c(N1)cccc2)=O
SPLASH splash10-0k9y-7900000000-4ba18f09667f556fae99
Source of Spectrum Y-53-781-4.6
Wiley ID 1876400