| SpectraBase Spectrum ID |
5tgsPOUBCwI |
| Name |
3-Bromo-6-fluoro-1-(2-iodobenzyl)-4-phenyl-1-azaspiro-[4.5]deca-3,6,9-triene-2,8-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
548.923664856 u |
| Formula |
C22H14BrFINO2 |
| InChI |
InChI=1S/C22H14BrFINO2/c23-20-19(14-6-2-1-3-7-14)22(11-10-16(27)12-18(22)24)26(21(20)28)13-15-8-4-5-9-17(15)25/h1-12H,13H2 |
| InChIKey |
NFMIHARUKNHCMW-UHFFFAOYSA-N |
| Molecular Weight |
550.166 g/mol |
| SMILES |
C12(C(=CC(C=C2)=O)F)N(C(C(=C1C1=CC=CC=C1)Br)=O)CC1=CC=CC=C1I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9209 |
![3-Bromo-6-fluoro-1-(2-iodobenzyl)-4-phenyl-1-azaspiro-[4.5]deca-3,6,9-triene-2,8-dione](/api/spectrum/5tgsPOUBCwI/structure.png?h=300&w=458 "3-Bromo-6-fluoro-1-(2-iodobenzyl)-4-phenyl-1-azaspiro-[4.5]deca-3,6,9-triene-2,8-dione")
