| SpectraBase Spectrum ID |
MX2Xzc4jAw |
| Name |
1-Chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.954481167 u |
| Formula |
C6ClF9 |
| InChI |
InChI=1S/C6ClF9/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11 |
| InChIKey |
SPJMTEPSABEJSM-UHFFFAOYSA-N |
| Molecular Weight |
278.505 g/mol |
| SMILES |
C1(C(C(F)(F)C(=C1C(F)(F)F)Cl)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852738 |
