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(S)-3,5-Dihydro-4-(8-quinolinylmethyl)dinaphth[2,1-c:1',2'-e]azepine
SpectraBase Compound ID CYyGyMIfcHk
InChI InChI=1S/C32H24N2/c1-3-12-28-22(7-1)14-16-25-19-34(21-27-10-5-9-24-11-6-18-33-32(24)27)20-26-17-15-23-8-2-4-13-29(23)31(26)30(25)28/h1-18H,19-21H2
InChIKey ATWXZZHQFXQDKB-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C32H24N2
Exact Mass 436.193949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XFMnBiFcpe
Name (S)-3,5-Dihydro-4-(8-quinolinylmethyl)dinaphth[2,1-C:1',2'-E]azepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.193948781 u
Formula C32H24N2
InChI InChI=1S/C32H24N2/c1-3-12-28-22(7-1)14-16-25-19-34(21-27-10-5-9-24-11-6-18-33-32(24)27)20-26-17-15-23-8-2-4-13-29(23)31(26)30(25)28/h1-18H,19-21H2
InChIKey ATWXZZHQFXQDKB-UHFFFAOYSA-N
Molecular Weight 436.558 g/mol
SMILES C=12C=3C(CN(CC2=CC=C2C1C=CC=C2)CC1=C2N=CC=CC2=CC=C1)=CC=C1C3C=CC=C1