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2-{[(4-methylphenyl)sulfonyl]methyl}-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

2-{[(4-methylphenyl)sulfonyl]methyl}-4(3H)-quinazolinone
SpectraBase Compound ID 3agGyk3KhiL
InChI InChI=1S/C16H14N2O3S/c1-11-6-8-12(9-7-11)22(20,21)10-15-17-14-5-3-2-4-13(14)16(19)18-15/h2-9H,10H2,1H3,(H,17,18,19)
InChIKey LAULVAUIIIFTGW-UHFFFAOYSA-N
Mol Weight 314.36 g/mol
Molecular Formula C16H14N2O3S
Exact Mass 314.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4z5IqSlcMO
Name 2-{[(4-methylphenyl)sulfonyl]methyl}-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 314.072513490 u
Formula C16H14N2O3S
InChI InChI=1S/C16H14N2O3S/c1-11-6-8-12(9-7-11)22(20,21)10-15-17-14-5-3-2-4-13(14)16(19)18-15/h2-9H,10H2,1H3,(H,17,18,19)
InChIKey LAULVAUIIIFTGW-UHFFFAOYSA-N
Molecular Weight 314.359 g/mol
SMILES N1C(=NC2=C(C1=O)C=CC=C2)CS(C1=CC=C(C=C1)C)(=O)=O