| SpectraBase Spectrum ID |
106okj1YJHQ |
| Name |
(2R,4S)-2-(Bromomethyl)-1-azabicyclo[2.2.2]octan-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.010227009 u |
| Formula |
C8H12BrNO |
| InChI |
InChI=1S/C8H12BrNO/c9-4-7-3-6-1-2-10(7)5-8(6)11/h6-7H,1-5H2/t6-,7+/m0/s1 |
| InChIKey |
JFKQWOWGJAIAMP-NKWVEPMBSA-N |
| Molecular Weight |
218.094 g/mol |
| SMILES |
C1N2CC[C@@](C1=O)([H])C[C@@]2(CBr)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982493 |
![(2R,4S)-2-(bromomethyl)-1-azabicyclo[2.2.2]octan-5-one](/api/spectrum/106okj1YJHQ/structure.png?h=300&w=458 "(2R,4S)-2-(bromomethyl)-1-azabicyclo[2.2.2]octan-5-one")
