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.alpha.-[2-Methyl-4(3H)-quinazolinone-3-yl]cinnamic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

.alpha.-[2-Methyl-4(3H)-quinazolinone-3-yl]cinnamic acid
SpectraBase Compound ID HsNPmhUuHXx
InChI InChI=1S/C18H14N2O3/c1-12-19-15-10-6-5-9-14(15)17(21)20(12)16(18(22)23)11-13-7-3-2-4-8-13/h2-11H,1H3,(H,22,23)/b16-11+
InChIKey HYNDQHSACGLHCB-LFIBNONCSA-N
Mol Weight 306.32 g/mol
Molecular Formula C18H14N2O3
Exact Mass 306.100442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uYfQ77z2Cl
Name .alpha.-[2-Methyl-4(3H)-quinazolinone-3-yl]cinnamic acid
Comments Computed using HOSE algorithm
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Exact Mass 306.100442316 u
Formula C18H14N2O3
InChI InChI=1S/C18H14N2O3/c1-12-19-15-10-6-5-9-14(15)17(21)20(12)16(18(22)23)11-13-7-3-2-4-8-13/h2-11H,1H3,(H,22,23)/b16-11+
InChIKey HYNDQHSACGLHCB-LFIBNONCSA-N
Molecular Weight 306.321 g/mol
SMILES C1(N(C(=NC=2C=CC=CC12)C)\C(C(=O)O)=C/C=1C=CC=CC1)=O