| SpectraBase Spectrum ID |
9r9odqjZ7RB |
| Name |
(2R,3R)-2,3-Dihydroxybutanedioic acid, diethyl ester, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.043636316 u |
| Formula |
C12H12F6O8 |
| InChI |
InChI=1S/C12H12F6O8/c1-3-23-7(19)5(25-9(21)11(13,14)15)6(8(20)24-4-2)26-10(22)12(16,17)18/h5-6H,3-4H2,1-2H3 |
| InChIKey |
NYIKNRKDVXUUPM-UHFFFAOYSA-N |
| Molecular Weight |
398.210 g/mol |
| SMILES |
C(C(C(OCC)=O)OC(C(F)(F)F)=O)(C(OCC)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985255 |
