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4(3H)-quinazolinone, 2-[(Z)-[1,2-dihydro-2-oxo-1-(phenylmethyl)-3H-indol-3-ylidene]methyl]-3-(4-methylphenyl)-
SpectraBase Compound ID 4jUF8swdbt0
InChI InChI=1S/C31H23N3O2/c1-21-15-17-23(18-16-21)34-29(32-27-13-7-5-12-25(27)31(34)36)19-26-24-11-6-8-14-28(24)33(30(26)35)20-22-9-3-2-4-10-22/h2-19H,20H2,1H3/b26-19-
InChIKey HQMGXIBSKBOGSI-XHPQRKPJSA-N
Mol Weight 469.54 g/mol
Molecular Formula C31H23N3O2
Exact Mass 469.179027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4O0fAF2CzOT
Name 4(3H)-Quinazolinone, 2-[(Z)-[1,2-dihydro-2-oxo-1-(phenylmethyl)-3H-indol-3-ylidene]methyl]-3-(4-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.179026991 u
Formula C31H23N3O2
InChI InChI=1S/C31H23N3O2/c1-21-15-17-23(18-16-21)34-29(32-27-13-7-5-12-25(27)31(34)36)19-26-24-11-6-8-14-28(24)33(30(26)35)20-22-9-3-2-4-10-22/h2-19H,20H2,1H3/b26-19-
InChIKey HQMGXIBSKBOGSI-XHPQRKPJSA-N
Molecular Weight 469.544 g/mol
SMILES C=1C=CC(CN2C(\C(=C/C=3N(C(=O)C4=C(N3)C=CC=C4)C=3C=CC(=CC3)C)C3=C2C=CC=C3)=O)=CC1