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(3-(Thienyl-2)-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid
SpectraBase Compound ID HYC4NMxNkmm
InChI InChI=1S/C17H12N4O3S/c22-14(23)8-7-13-18-11-5-2-1-4-10(11)16-19-17(24)15(20-21(13)16)12-6-3-9-25-12/h1-6,9H,7-8H2,(H,22,23)
InChIKey NURNBIXPTFZONQ-UHFFFAOYSA-N
Mol Weight 352.37 g/mol
Molecular Formula C17H12N4O3S
Exact Mass 352.063011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbrYh2eZ44c
Name (3-(Thienyl-2)-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid
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Formula C17H12N4O3S
InChI InChI=1S/C17H12N4O3S/c22-14(23)8-7-13-18-11-5-2-1-4-10(11)16-19-17(24)15(20-21(13)16)12-6-3-9-25-12/h1-6,9H,7-8H2,(H,22,23)
InChIKey NURNBIXPTFZONQ-UHFFFAOYSA-N
Instrument Name Varian 1200 L
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2120
Molecular Weight 352.368 g/mol
SMILES OC(CCC=1N2C(=NC(C(c3sccc3)=N2)=O)c2c(N1)cccc2)=O
SPLASH splash10-0002-2910000000-4100f24069599055c23e
Source of Spectrum Y-53-781-4.7
Wiley ID 1876401