SpectraBase Spectrum ID |
JaudzGYr5a9 |
Name |
Benzamide, N-(3B,4,5,6,6A,7,9,9A,10,11,12,12A-dodecahydrobenzo[ij]dicyclopenta[B,G]quinolizin-1-yl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
372.220163529 u |
Formula |
C25H28N2O |
InChI |
InChI=1S/C25H28N2O/c28-25(16-6-2-1-3-7-16)26-22-13-12-21-19-10-4-8-17(19)14-27-15-18-9-5-11-20(18)23(22)24(21)27/h1-3,6-7,12-13,17-20H,4-5,8-11,14-15H2,(H,26,28) |
InChIKey |
GPFFITSJYHXAIH-UHFFFAOYSA-N |
Molecular Weight |
372.512 g/mol |
SMILES |
C=12C3=C(NC(=O)C4=CC=CC=C4)C=CC1C1C(CCC1)CN2CC1CCCC31 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964355 |