| SpectraBase Spectrum ID |
7vY5EmqQGDg |
| Name |
3,12-Dibenzyl-6,9-dimethyl-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.330048332 u |
| Formula |
C31H41N3 |
| InChI |
InChI=1S/C31H41N3/c1-26-16-17-27(2)19-21-34(23-29-12-7-4-8-13-29)25-31-15-9-14-30(32-31)24-33(20-18-26)22-28-10-5-3-6-11-28/h3-15,26-27H,16-25H2,1-2H3 |
| InChIKey |
FTFUEXCBEVTKIH-UHFFFAOYSA-N |
| Molecular Weight |
455.690 g/mol |
| SMILES |
C1=2CN(CCC(CCC(CCN(CC(C=CC2)=N1)CC=1C=CC=CC1)C)C)CC=1C=CC=CC1 |
![3,12-Dibenzyl-6,9-dimethyl-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene](/api/spectrum/7vY5EmqQGDg/structure.png?h=300&w=458 "3,12-Dibenzyl-6,9-dimethyl-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene")
