| SpectraBase Spectrum ID |
3TUZfq2w7bw |
| Name |
Endo-8-bromo-N-iso-butyl-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 |
243.062262584 u |
| Formula |
C11H18BrN |
| InChI |
InChI=1S/C11H18BrN/c1-6(2)5-13-10-4-8-7(10)3-9(12)11(8)13/h6-11H,3-5H2,1-2H3 |
| InChIKey |
GXIOUYRMRRQARF-UHFFFAOYSA-N |
| Molecular Weight |
244.176 g/mol |
| SMILES |
C12N(C3CC2C3CC1Br)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869759 |
![Endo-8-bromo-N-iso-butyl-2-azatricyclo[3.3.0.0(3,6)]octane](/api/spectrum/3TUZfq2w7bw/structure.png?h=300&w=458 "Endo-8-bromo-N-iso-butyl-2-azatricyclo[3.3.0.0(3,6)]octane")
