| SpectraBase Spectrum ID |
97PsbcgwR9h |
| Name |
(1R*,2S*,8S*,9R*)-1-Methoxy-13-azatricyclo[7.3.1.0(2,8)]trideca-3,5-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
205.146664235 u |
| Formula |
C13H19NO |
| InChI |
InChI=1S/C13H19NO/c1-15-13-9-5-8-12(14-13)10-6-3-2-4-7-11(10)13/h2-4,7,10-12,14H,5-6,8-9H2,1H3/t10-,11-,12+,13+/m0/s1 |
| InChIKey |
OVRNFOIBWMNYKT-WUHRBBMRSA-N |
| Molecular Weight |
205.301 g/mol |
| SMILES |
[C@@]12(N[C@@]([H])([C@@]3([C@@]2(C=CC=CC3)[H])[H])CCC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828737 |
![(1R*,2S*,8S*,9R*)-1-Methoxy-13-azatricyclo[7.3.1.0(2,8)]trideca-3,5-diene](/api/spectrum/97PsbcgwR9h/structure.png?h=300&w=458 "(1R*,2S*,8S*,9R*)-1-Methoxy-13-azatricyclo[7.3.1.0(2,8)]trideca-3,5-diene")
