| SpectraBase Spectrum ID |
1WhUAnHf01d |
| Name |
Methyl 3,4-o-isopropylidene-L-threonate, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.066422622 u |
| Formula |
C10H13F3O6 |
| InChI |
InChI=1S/C10H13F3O6/c1-9(2)17-4-5(19-9)6(7(14)16-3)18-8(15)10(11,12)13/h5-6H,4H2,1-3H3 |
| InChIKey |
GRZCYWPMVKLKEU-UHFFFAOYSA-N |
| Molecular Weight |
286.203 g/mol |
| SMILES |
C1(OC(C(C(=O)OC)OC(C(F)(F)F)=O)CO1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880024 |
