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(3-(4'-Methylphenyl)-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoicacid
SpectraBase Compound ID BCuoggp4cYe
InChI InChI=1S/C21H18N4O3/c1-13-9-11-14(12-10-13)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 KDVGVOMDKHEDLC-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C21H18N4O3
Exact Mass 374.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4O8JoY0453B
Name (3-(4'-Methylphenyl)-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoicacid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O3
InChI InChI=1S/C21H18N4O3/c1-13-9-11-14(12-10-13)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 KDVGVOMDKHEDLC-UHFFFAOYSA-N
Instrument Name Varian 1200 L
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2120
Molecular Weight 374.400 g/mol
SMILES OC(CCCC=1N2C(=NC(C(c3ccc(cc3)C)=N2)=O)c2c(N1)cccc2)=O
SPLASH splash10-000j-1900000000-21472a72513d2b212c4c
Source of Spectrum Y-53-781-4.11
Wiley ID 1876391