| SpectraBase Spectrum ID |
7FRZjgFg7UM |
| Name |
2-(Bromomethyl)-3-ethyl-1,2,3,6,7,11B-hexahydro-4H-benzo[A]quinolizin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.072827267 u |
| Formula |
C16H20BrNO |
| InChI |
InChI=1S/C16H20BrNO/c1-2-13-12(10-17)9-15-14-6-4-3-5-11(14)7-8-18(15)16(13)19/h3-6,12-13,15H,2,7-10H2,1H3 |
| InChIKey |
SQKXLNXTTTYUEB-UHFFFAOYSA-N |
| Molecular Weight |
322.246 g/mol |
| SMILES |
C=12C(CCN3C(C(C(CC23)CBr)CC)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916532 |
![2-(Bromomethyl)-3-ethyl-1,2,3,6,7,11b-hexahydro-4H-benzo[a]quinolizin-4-one](/api/spectrum/7FRZjgFg7UM/structure.png?h=300&w=458 "2-(Bromomethyl)-3-ethyl-1,2,3,6,7,11b-hexahydro-4H-benzo[a]quinolizin-4-one")
