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(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoic acid
SpectraBase Compound ID KMptDFEFsnn
InChI InChI=1S/C21H18N4O3/c26-19(27)12-6-11-18-22-16-10-5-4-9-15(16)20-23-21(28)17(24-25(18)20)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,26,27)
InChIKey YVKOTMNZGQVRMQ-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 75knjzQUWBT
Name (3-Benzyl-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 C21H18N4O3
InChI InChI=1S/C21H18N4O3/c26-19(27)12-6-11-18-22-16-10-5-4-9-15(16)20-23-21(28)17(24-25(18)20)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,26,27)
InChIKey YVKOTMNZGQVRMQ-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(Cc3ccccc3)=N2)=O)c2c(N1)cccc2)=O
SPLASH splash10-000j-2900000000-acaa201e0e7c6cf2932f
Source of Spectrum Y-53-781-4.9
Wiley ID 1876403