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3-benzyl-2-[(E)-2-(1H-indol-3-yl)ethenyl]-4(3H)-quinazolinone
SpectraBase Compound ID GFbjiDMvIax
InChI InChI=1S/C25H19N3O/c29-25-21-11-5-7-13-23(21)27-24(28(25)17-18-8-2-1-3-9-18)15-14-19-16-26-22-12-6-4-10-20(19)22/h1-16,26H,17H2/b15-14+
InChIKey PCSYKZWCMFGCNU-CCEZHUSRSA-N
Mol Weight 377.45 g/mol
Molecular Formula C25H19N3O
Exact Mass 377.152812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58V020zIelr
Name 3-Benzyl-2-[(E)-2-(1H-indol-3-yl)ethenyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 377.152812243 u
Formula C25H19N3O
InChI InChI=1S/C25H19N3O/c29-25-21-11-5-7-13-23(21)27-24(28(25)17-18-8-2-1-3-9-18)15-14-19-16-26-22-12-6-4-10-20(19)22/h1-16,26H,17H2/b15-14+
InChIKey PCSYKZWCMFGCNU-CCEZHUSRSA-N
Molecular Weight 377.447 g/mol
SMILES N1C2=C(C(=C1)\C=C\C=1N(C(C=3C=CC=CC3N1)=O)CC=1C=CC=CC1)C=CC=C2