SpectraBase Spectrum ID |
LJQpBuStUlT |
Name |
Dibenzo[A,D]bicyclo[3,2,1]-8-azaoctane, N-[2-pyridyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
284.131348523 u |
Formula |
C20H16N2 |
InChI |
InChI=1S/C20H16N2/c1-2-8-15-14(7-1)13-18-16-9-3-4-10-17(16)20(15)22(18)19-11-5-6-12-21-19/h1-12,18,20H,13H2/t18-,20+/m1/s1 |
InChIKey |
FRMOSWQQTWYYCR-QUCCMNQESA-N |
Molecular Weight |
284.362 g/mol |
SMILES |
C=12[C@@]3(N(C=4C=CC=CN4)[C@](CC1C=CC=C2)(C=1C3=CC=CC1)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946801 |