| SpectraBase Spectrum ID |
GgEinb1gJYI |
| Name |
Bicyclo[2.2.1]hept-2-ene, 5-bromo-6-iodo-2,3-bis(trifluoromethyl)-, (5R,6R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.874045171 u |
| Formula |
C9H6Br2F6 |
| InChI |
InChI=1S/C9H6Br2F6/c10-6-2-1-3(7(6)11)5(9(15,16)17)4(2)8(12,13)14/h2-3,6-7H,1H2/t2-,3+,6-,7-/m1/s1 |
| InChIKey |
YISRAKAKSNRAET-QEOZKPFWSA-N |
| Molecular Weight |
387.945 g/mol |
| SMILES |
C1(=C([C@@]2([C@]([C@@]([C@]1(C2)[H])(Br)[H])(Br)[H])[H])C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866319 |
![Bicyclo[2.2.1]hept-2-ene, 5-bromo-6-iodo-2,3-bis(trifluoromethyl)-, (5R,6R)-](/api/spectrum/GgEinb1gJYI/structure.png?h=300&w=458 "Bicyclo[2.2.1]hept-2-ene, 5-bromo-6-iodo-2,3-bis(trifluoromethyl)-, (5R,6R)-")
