| SpectraBase Spectrum ID |
3VlK4jU7AVh |
| Name |
1-(2-Bromobenzyl)-5-methylene-4,4-dimethylpiperidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.057177203 u |
| Formula |
C15H18BrNO |
| InChI |
InChI=1S/C15H18BrNO/c1-11-15(2,3)9-8-14(18)17(11)10-12-6-4-5-7-13(12)16/h4-7H,1,8-10H2,2-3H3 |
| InChIKey |
GSDWWVQFQROTRN-UHFFFAOYSA-N |
| Molecular Weight |
308.219 g/mol |
| SMILES |
C1(N(C(CCC1(C)C)=O)CC=1C(Br)=CC=CC1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852435 |
