SpectraBase Compound ID | A2jaS09L0eS |
---|---|
InChI | InChI=1S/C5HClF8/c6-2(4(9,10)11)1-3(7,8)5(12,13)14/h1H/b2-1- |
InChIKey | VVTGWIONTXCWPE-UPHRSURJSA-N |
Mol Weight | 248.5 g/mol |
Molecular Formula | C5HClF8 |
Exact Mass | 247.963903 g/mol |
SpectraBase Spectrum ID | 2NeqdhcYw48 |
---|---|
Name | 2-Chloro-1,1,1,4,4,5,5,5-octafluoropent-2-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 247.963903036 u |
Formula | C5HClF8 |
InChI | InChI=1S/C5HClF8/c6-2(4(9,10)11)1-3(7,8)5(12,13)14/h1H/b2-1- |
InChIKey | VVTGWIONTXCWPE-UPHRSURJSA-N |
Molecular Weight | 248.503 g/mol |
SMILES | C(\C=C\(C(F)(F)F)Cl)(C(F)(F)F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953658 |