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3-(2-methylphenyl)-2-[(2-phenoxyethyl)sulfanyl]-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

3-(2-methylphenyl)-2-[(2-phenoxyethyl)sulfanyl]-4(3H)-quinazolinone
SpectraBase Compound ID 84XlAMmKSFz
InChI InChI=1S/C23H20N2O2S/c1-17-9-5-8-14-21(17)25-22(26)19-12-6-7-13-20(19)24-23(25)28-16-15-27-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKey PGNYLZFPDZUKMF-UHFFFAOYSA-N
Mol Weight 388.49 g/mol
Molecular Formula C23H20N2O2S
Exact Mass 388.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoATbzWdjac
Name 3-(2-Methylphenyl)-2-[(2-phenoxyethyl)sulfanyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 388.124549064 u
Formula C23H20N2O2S
InChI InChI=1S/C23H20N2O2S/c1-17-9-5-8-14-21(17)25-22(26)19-12-6-7-13-20(19)24-23(25)28-16-15-27-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKey PGNYLZFPDZUKMF-UHFFFAOYSA-N
Molecular Weight 388.485 g/mol
SMILES C=1C=CC(OCCSC=2N(C(C3=C(C=CC=C3)N2)=O)C2=C(C)C=CC=C2)=CC1