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(3-(4'-Methoxyphenyl)-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoic acid
SpectraBase Compound ID 4G7o8tldMLg
InChI InChI=1S/C21H18N4O4/c1-29-14-11-9-13(10-12-14)19-21(28)23-20-15-5-2-3-6-16(15)22-17(25(20)24-19)7-4-8-18(26)27/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,26,27)
InChIKey GKEHGSFLOSMGJW-UHFFFAOYSA-N
Mol Weight 390.4 g/mol
Molecular Formula C21H18N4O4
Exact Mass 390.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNlZfA1EQfI
Name (3-(4'-Methoxyphenyl)-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O4
InChI InChI=1S/C21H18N4O4/c1-29-14-11-9-13(10-12-14)19-21(28)23-20-15-5-2-3-6-16(15)22-17(25(20)24-19)7-4-8-18(26)27/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,26,27)
InChIKey GKEHGSFLOSMGJW-UHFFFAOYSA-N
Instrument Name Varian 1200 L
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2120
Molecular Weight 390.399 g/mol
SMILES OC(CCCC=1N2C(=NC(C(c3ccc(cc3)OC)=N2)=O)c2c(N1)cccc2)=O
SPLASH splash10-001a-0900000000-e8cfb9fdc537ab9ff70e
Source of Spectrum Y-53-782-4.13
Wiley ID 1876393