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4-(5-Iodo-1H-phenanthro[9,10-d]imidazol-2-yl)-phenol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(5-Iodo-1H-phenanthro[9,10-d]imidazol-2-yl)-phenol
SpectraBase Compound ID ILSx5b2kJMQ
InChI InChI=1S/C21H13IN2O/c22-13-7-10-16-15-3-1-2-4-17(15)19-20(18(16)11-13)24-21(23-19)12-5-8-14(25)9-6-12/h1-11,25H,(H,23,24)
InChIKey HAQVISNVHNAJFF-UHFFFAOYSA-N
Mol Weight 436.25 g/mol
Molecular Formula C21H13IN2O
Exact Mass 436.007258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESePiRHQjEc
Name 4-(5-Iodo-1H-phenanthro[9,10-D]imidazol-2-yl)-phenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.007258046 u
Formula C21H13IN2O
InChI InChI=1S/C21H13IN2O/c22-13-7-10-16-15-3-1-2-4-17(15)19-20(18(16)11-13)24-21(23-19)12-5-8-14(25)9-6-12/h1-11,25H,(H,23,24)
InChIKey HAQVISNVHNAJFF-UHFFFAOYSA-N
Molecular Weight 436.252 g/mol
SMILES C12=C(C3=C(C=CC=C3)C=3C1=CC(I)=CC3)NC(=N2)C1=CC=C(O)C=C1