| SpectraBase Spectrum ID |
D3g9SA2zgll |
| Name |
3-Methylidene-1-(pentafluorophenyl)pentane-1,5-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.067920407 u |
| Formula |
C12H11F5O2 |
| InChI |
InChI=1S/C12H11F5O2/c1-5(2-3-18)4-6(19)7-8(13)10(15)12(17)11(16)9(7)14/h6,18-19H,1-4H2 |
| InChIKey |
VXCMPRBJERSLIT-UHFFFAOYSA-N |
| Molecular Weight |
282.210 g/mol |
| SMILES |
C=1(C(=C(F)C(=C(C1F)F)F)F)C(CC(=C)CCO)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932937 |
