SpectraBase Spectrum ID |
JCSGJRoiBKU |
Name |
5,6,11,12-Tetrahydrodibenz(B,F)azocine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
209.120449487 u |
Formula |
C15H15N |
InChI |
InChI=1S/C15H15N/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1/h1-8,16H,9-11H2 |
InChIKey |
WMFXVTTVODXHLE-UHFFFAOYSA-N |
Molecular Weight |
209.292 g/mol |
SMILES |
C12=C(CNC3=C(CC2)C=CC=C3)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964453 |