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4-(4-Chlorophenyl)-1-(phenanthren-9-yl)isoquinoline

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

4-(4-Chlorophenyl)-1-(phenanthren-9-yl)isoquinoline
SpectraBase Compound ID 90lJ66nXctU
InChI InChI=1S/C29H18ClN/c30-21-15-13-19(14-16-21)28-18-31-29(26-12-6-5-11-25(26)28)27-17-20-7-1-2-8-22(20)23-9-3-4-10-24(23)27/h1-18H
InChIKey HBKKWXWDIYORSZ-UHFFFAOYSA-N
Mol Weight 415.92 g/mol
Molecular Formula C29H18ClN
Exact Mass 415.112777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HI3CH8vymvW
Name 4-(4-Chlorophenyl)-1-(phenanthren-9-yl)isoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.112777284 u
Formula C29H18ClN
InChI InChI=1S/C29H18ClN/c30-21-15-13-19(14-16-21)28-18-31-29(26-12-6-5-11-25(26)28)27-17-20-7-1-2-8-22(20)23-9-3-4-10-24(23)27/h1-18H
InChIKey HBKKWXWDIYORSZ-UHFFFAOYSA-N
Molecular Weight 415.923 g/mol
SMILES C1(=NC=C(C=2C=CC=CC12)C=1C=CC(=CC1)Cl)C=1C=2C(C3=CC=CC=C3C1)=CC=CC2