| SpectraBase Spectrum ID |
29tw5o7ZWwk |
| Name |
(2R,3R)-2,3-Dihydroxybutanedioic acid, dimethyl ester, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
569.999561492 u |
| Formula |
C14H8F14O8 |
| InChI |
InChI=1S/C14H8F14O8/c1-33-5(29)3(35-7(31)9(15,16)11(19,20)13(23,24)25)4(6(30)34-2)36-8(32)10(17,18)12(21,22)14(26,27)28/h3-4H,1-2H3 |
| InChIKey |
MCUNENIYJDVHNJ-UHFFFAOYSA-N |
| Molecular Weight |
570.188 g/mol |
| SMILES |
C(C(C(OC)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)(C(OC)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.991066 |
