| SpectraBase Spectrum ID |
1HWxdJpuv2o |
| Name |
3,5-Dihydroxybenzyl alcohol, tris(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.994241342 u |
| Formula |
C13H5F9O6 |
| InChI |
InChI=1S/C13H5F9O6/c14-11(15,16)8(23)26-4-5-1-6(27-9(24)12(17,18)19)3-7(2-5)28-10(25)13(20,21)22/h1-3H,4H2 |
| InChIKey |
FTYDVVMEIZKILN-UHFFFAOYSA-N |
| Molecular Weight |
428.163 g/mol |
| SMILES |
C1=C(C=C(C=C1COC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968289 |
