| SpectraBase Spectrum ID |
Lw984Wmq4Z6 |
| Name |
L-Sorbofuranose, pentakis(trifluoroacetate) (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
659.974883479 u |
| Formula |
C16H7F15O11 |
| InChI |
InChI=1S/C16H7F15O11/c17-12(18,19)6(32)37-1-3-4(39-8(34)14(23,24)25)5(40-9(35)15(26,27)28)11(41-3,42-10(36)16(29,30)31)2-38-7(33)13(20,21)22/h3-5H,1-2H2 |
| InChIKey |
XZVKUTGQYBCICM-UHFFFAOYSA-N |
| Molecular Weight |
660.197 g/mol |
| SMILES |
C1(OC(OC(C(F)(F)F)=O)(COC(C(F)(F)F)=O)C(C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)COC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964912 |
