| SpectraBase Spectrum ID |
DrYgSVi9hPJ |
| Name |
Methyl 3,4-o-isopropylidene-L-threonate, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.063228948 u |
| Formula |
C11H13F5O6 |
| InChI |
InChI=1S/C11H13F5O6/c1-9(2)20-4-5(22-9)6(7(17)19-3)21-8(18)10(12,13)11(14,15)16/h5-6H,4H2,1-3H3 |
| InChIKey |
WLYZJXRFMKLTAT-UHFFFAOYSA-N |
| Molecular Weight |
336.211 g/mol |
| SMILES |
C1(OC(C(C(=O)OC)OC(C(C(F)(F)F)(F)F)=O)CO1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975361 |
