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Benzoic acid, 4-[[(3,4-dihydro-4-oxo-2-quinazolinyl)thio]methyl]-, methyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 4-[[(3,4-dihydro-4-oxo-2-quinazolinyl)thio]methyl]-, methyl ester
SpectraBase Compound ID 3qBUPEWqWmD
InChI InChI=1S/C17H14N2O3S/c1-22-16(21)12-8-6-11(7-9-12)10-23-17-18-14-5-3-2-4-13(14)15(20)19-17/h2-9H,10H2,1H3,(H,18,19,20)
InChIKey ZAKYLTYTJKXKMH-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C17H14N2O3S
Exact Mass 326.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8aRymRsQWW
Name Benzoic acid, 4-[[(3,4-dihydro-4-oxo-2-quinazolinyl)thio]methyl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 326.072513490 u
Formula C17H14N2O3S
InChI InChI=1S/C17H14N2O3S/c1-22-16(21)12-8-6-11(7-9-12)10-23-17-18-14-5-3-2-4-13(14)15(20)19-17/h2-9H,10H2,1H3,(H,18,19,20)
InChIKey ZAKYLTYTJKXKMH-UHFFFAOYSA-N
Molecular Weight 326.370 g/mol
SMILES N1C(=NC2=CC=CC=C2C1=O)SCC1=CC=C(C(=O)OC)C=C1