| SpectraBase Spectrum ID |
A1UunWIDgs5 |
| Name |
3,5-Dihydroxybenzyl alcohol, tris(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
577.984660320 u |
| Formula |
C16H5F15O6 |
| InChI |
InChI=1S/C16H5F15O6/c17-11(18,14(23,24)25)8(32)35-4-5-1-6(36-9(33)12(19,20)15(26,27)28)3-7(2-5)37-10(34)13(21,22)16(29,30)31/h1-3H,4H2 |
| InChIKey |
NXGZXCJPXLQXHW-UHFFFAOYSA-N |
| Molecular Weight |
578.186 g/mol |
| SMILES |
C1=C(C=C(C=C1COC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923869 |
