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2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethyl-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethyl-4(3H)-quinazolinone
SpectraBase Compound ID pPDO9qSkHa
InChI InChI=1S/C18H15ClN2O/c1-2-21-17(12-11-13-7-3-5-9-15(13)19)20-16-10-6-4-8-14(16)18(21)22/h3-12H,2H2,1H3/b12-11+
InChIKey WDAGXHGFHWUQAP-VAWYXSNFSA-N
Mol Weight 310.78 g/mol
Molecular Formula C18H15ClN2O
Exact Mass 310.087291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 533xlssIP4a
Name 2-[(E)-2-(2-Chlorophenyl)ethenyl]-3-ethyl-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 310.087290810 u
Formula C18H15ClN2O
InChI InChI=1S/C18H15ClN2O/c1-2-21-17(12-11-13-7-3-5-9-15(13)19)20-16-10-6-4-8-14(16)18(21)22/h3-12H,2H2,1H3/b12-11+
InChIKey WDAGXHGFHWUQAP-VAWYXSNFSA-N
Molecular Weight 310.784 g/mol
SMILES C=1C=CC(\C=C\C=2N(C(C=3C=CC=CC3N2)=O)CC)=C(Cl)C1