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3,5-Dihydro-4-(2-pyridinylmethyl)dinaphth[2,1-c:1',2'-e]azepine

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

3,5-Dihydro-4-(2-pyridinylmethyl)dinaphth[2,1-c:1',2'-e]azepine
SpectraBase Compound ID BLvffTzGZ5f
InChI InChI=1S/C28H22N2/c1-3-10-25-20(7-1)12-14-22-17-30(19-24-9-5-6-16-29-24)18-23-15-13-21-8-2-4-11-26(21)28(23)27(22)25/h1-16H,17-19H2
InChIKey RGPHQLMFKIKYKJ-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C28H22N2
Exact Mass 386.178299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNWvKebC4KO
Name 3,5-Dihydro-4-(2-pyridinylmethyl)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 386.178298716 u
Formula C28H22N2
InChI InChI=1S/C28H22N2/c1-3-10-25-20(7-1)12-14-22-17-30(19-24-9-5-6-16-29-24)18-23-15-13-21-8-2-4-11-26(21)28(23)27(22)25/h1-16H,17-19H2
InChIKey RGPHQLMFKIKYKJ-UHFFFAOYSA-N
Molecular Weight 386.498 g/mol
SMILES C=12C=3C(CN(CC2=CC=C2C1C=CC=C2)CC1=NC=CC=C1)=CC=C1C3C=CC=C1