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(3-(3',4'-Dimethylphenyl)-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoic acid
SpectraBase Compound ID 9pm0IPdcfqx
InChI InChI=1S/C22H20N4O3/c1-13-10-11-15(12-14(13)2)20-22(29)24-21-16-6-3-4-7-17(16)23-18(26(21)25-20)8-5-9-19(27)28/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,27,28)
InChIKey WPZRXPTXRVJKCV-UHFFFAOYSA-N
Mol Weight 388.43 g/mol
Molecular Formula C22H20N4O3
Exact Mass 388.153541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cuzFHQWLS9
Name (3-(3',4'-Dimethylphenyl)-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 C22H20N4O3
InChI InChI=1S/C22H20N4O3/c1-13-10-11-15(12-14(13)2)20-22(29)24-21-16-6-3-4-7-17(16)23-18(26(21)25-20)8-5-9-19(27)28/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,27,28)
InChIKey WPZRXPTXRVJKCV-UHFFFAOYSA-N
Instrument Name Varian 1200 L
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2120
Molecular Weight 388.427 g/mol
SMILES OC(CCCC=1N2C(=NC(C(c3cc(c(cc3)C)C)=N2)=O)c2c(N1)cccc2)=O
SPLASH splash10-05n1-5900000000-e4633f45481337218dca
Source of Spectrum Y-53-782-4.12
Wiley ID 1876392