| SpectraBase Spectrum ID |
8WnKO77iX0X |
| Name |
3,4-Dihydroxybenzaldehyde, bis(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.989904854 u |
| Formula |
C13H4F10O5 |
| InChI |
InChI=1S/C13H4F10O5/c14-10(15,12(18,19)20)8(25)27-6-2-1-5(4-24)3-7(6)28-9(26)11(16,17)13(21,22)23/h1-4H |
| InChIKey |
QTTUMVDUWBVDOE-UHFFFAOYSA-N |
| Molecular Weight |
430.154 g/mol |
| SMILES |
C(=O)C1=CC(OC(C(C(F)(F)F)(F)F)=O)=C(C=C1)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906645 |
