| SpectraBase Spectrum ID |
6MwOUOoaldC |
| Name |
Endo-8-bromo-N-propyl-2-azatricyclo[3.3.0.0(3,6)]octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.046612519 u |
| Formula |
C10H16BrN |
| InChI |
InChI=1S/C10H16BrN/c1-2-3-12-9-5-7-6(9)4-8(11)10(7)12/h6-10H,2-5H2,1H3 |
| InChIKey |
MABCWFJHCBWNKV-UHFFFAOYSA-N |
| Molecular Weight |
230.149 g/mol |
| SMILES |
C12N(C3CC2C3CC1Br)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851334 |
![Endo-8-bromo-N-propyl-2-azatricyclo[3.3.0.0(3,6)]octane](/api/spectrum/6MwOUOoaldC/structure.png?h=300&w=458 "Endo-8-bromo-N-propyl-2-azatricyclo[3.3.0.0(3,6)]octane")
