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3-(4-bromophenyl)-6-iodo-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-4(3H)-quinazolinone
SpectraBase Compound ID BKOKH0aAtlh
InChI InChI=1S/C23H13BrIN3O2/c24-13-5-8-15(9-6-13)28-21(26-20-10-7-14(25)11-18(20)23(28)30)12-17-16-3-1-2-4-19(16)27-22(17)29/h1-12H,(H,27,29)/b17-12-
InChIKey BMBDYJKSGMNTPI-ATVHPVEESA-N
Mol Weight 570.18 g/mol
Molecular Formula C23H13BrIN3O2
Exact Mass 568.923585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7B5HjBy21ED
Name 3-(4-Bromophenyl)-6-iodo-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.923584669 u
Formula C23H13BrIN3O2
InChI InChI=1S/C23H13BrIN3O2/c24-13-5-8-15(9-6-13)28-21(26-20-10-7-14(25)11-18(20)23(28)30)12-17-16-3-1-2-4-19(16)27-22(17)29/h1-12H,(H,27,29)/b17-12-
InChIKey BMBDYJKSGMNTPI-ATVHPVEESA-N
Molecular Weight 570.184 g/mol
SMILES N1C2=C(\C(C1=O)=C/C=1N(C(C3=C(N1)C=CC(=C3)I)=O)C1=CC=C(C=C1)Br)C=CC=C2