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3-benzyl-2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-iodo-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR

3-benzyl-2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-iodo-4(3H)-quinazolinone
SpectraBase Compound ID LZ5LwXNOSDP
InChI InChI=1S/C32H24IN3O/c33-26-16-17-29-28(19-26)32(37)36(21-24-11-5-2-6-12-24)31(34-29)18-15-25-22-35(20-23-9-3-1-4-10-23)30-14-8-7-13-27(25)30/h1-19,22H,20-21H2/b18-15+
InChIKey CBOANTJEODZHOQ-OBGWFSINSA-N
Mol Weight 593.5 g/mol
Molecular Formula C32H24IN3O
Exact Mass 593.096407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mRNpJsPsj7
Name 3-Benzyl-2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-iodo-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 593.096407404 u
Formula C32H24IN3O
InChI InChI=1S/C32H24IN3O/c33-26-16-17-29-28(19-26)32(37)36(21-24-11-5-2-6-12-24)31(34-29)18-15-25-22-35(20-23-9-3-1-4-10-23)30-14-8-7-13-27(25)30/h1-19,22H,20-21H2/b18-15+
InChIKey CBOANTJEODZHOQ-OBGWFSINSA-N
Molecular Weight 593.468 g/mol
SMILES C=1C=CC(CN2C=C(\C=C\C=3N(C(C4=CC(I)=CC=C4N3)=O)CC3=CC=CC=C3)C3=C2C=CC=C3)=CC1