| SpectraBase Spectrum ID |
HN6W5QMjYXZ |
| Name |
1-[(Bromofluoro)-methylidene]-1,2,3,4,6,10B-hexahydropyrido-[2,1-A]-isoindol-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.000805140 u |
| Formula |
C13H11BrFNO |
| InChI |
InChI=1S/C13H11BrFNO/c14-12(15)10-6-3-7-16-11(10)8-4-1-2-5-9(8)13(16)17/h1-2,4-5,11H,3,6-7H2/b12-10+ |
| InChIKey |
WTMHDCBYDZIAAD-ZRDIBKRKSA-N |
| Molecular Weight |
296.139 g/mol |
| SMILES |
C12N(CCC\C2=C\(F)Br)C(C2=CC=CC=C12)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816674 |
![1-[(Bromofluoro)-methylidene]-1,2,3,4,6,10B-hexahydropyrido-[2,1-A]-isoindol-6-one](/api/spectrum/HN6W5QMjYXZ/structure.png?h=300&w=458 "1-[(Bromofluoro)-methylidene]-1,2,3,4,6,10B-hexahydropyrido-[2,1-A]-isoindol-6-one")
