| SpectraBase Spectrum ID |
1a85PRGx87l |
| Name |
1,1-Dibromo-3,3-difluoro-4,4-difluoro-5,5,5-trifluoro-2-phenylpentene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.864623302 u |
| Formula |
C11H5Br2F7 |
| InChI |
InChI=1S/C11H5Br2F7/c12-8(13)7(6-4-2-1-3-5-6)9(14,15)10(16,17)11(18,19)20/h1-5H |
| InChIKey |
ICRFRXCKKLXGFH-UHFFFAOYSA-N |
| Molecular Weight |
429.958 g/mol |
| SMILES |
C(C(C(F)(F)F)(F)F)(C(=C(Br)Br)C1=CC=CC=C1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837517 |
