| SpectraBase Spectrum ID |
A1IYCIRZHmm |
| Name |
(2R,3R)-(-)-2-benzyloxy-1,3,4-butanetriol, tris(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.051756219 u |
| Formula |
C17H13F9O7 |
| InChI |
InChI=1S/C17H13F9O7/c18-15(19,20)12(27)31-7-10(30-6-9-4-2-1-3-5-9)11(33-14(29)17(24,25)26)8-32-13(28)16(21,22)23/h1-5,10-11H,6-8H2 |
| InChIKey |
QVSPLHGYEGENNA-UHFFFAOYSA-N |
| Molecular Weight |
500.270 g/mol |
| SMILES |
C1(=CC=CC=C1)COC(COC(C(F)(F)F)=O)C(COC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980123 |
