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Methyl 2-[4-oxo-2-thioxo-1,4-dihydro-3(2H)-quiazolinyl]benzenecarboxylate
SpectraBase Compound ID DNyd1WV3UPN
InChI InChI=1S/C16H12N2O3S/c1-21-15(20)11-7-3-5-9-13(11)18-14(19)10-6-2-4-8-12(10)17-16(18)22/h2-9H,1H3,(H,17,22)
InChIKey VWBHDCKQFOAZGU-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C16H12N2O3S
Exact Mass 312.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gw7iAMoCPnc
Name Methyl 2-[4-oxo-2-thioxo-1,4-dihydro-3(2H)-quiazolinyl]benzenecarboxylate
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Formula C16H12N2O3S
InChI InChI=1S/C16H12N2O3S/c1-21-15(20)11-7-3-5-9-13(11)18-14(19)10-6-2-4-8-12(10)17-16(18)22/h2-9H,1H3,(H,17,22)
InChIKey VWBHDCKQFOAZGU-UHFFFAOYSA-N
Molecular Weight 312.343 g/mol
SMILES N1c2c(C(N(C1=S)c1c(C(=O)OC)cccc1)=O)cccc2
SPLASH splash10-0udi-0091000000-1722dc254c9e2270569f
Source of Spectrum KC-57-7227-4
Synonyms 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid methyl ester Methyl 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate Methyl 2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoate Methyl 2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
Wiley ID 1625491