| SpectraBase Spectrum ID |
1fheSAsYzHZ |
| Name |
D-Fructose, diethyl mercaptal, pentaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.143689568 u |
| Formula |
C20H32O10S2 |
| InChI |
InChI=1S/C20H32O10S2/c1-8-31-20(32-9-2,11-27-13(4)22)19(30-16(7)25)18(29-15(6)24)17(28-14(5)23)10-26-12(3)21/h17-19H,8-11H2,1-7H3 |
| InChIKey |
QSLUARNVKMBYJK-UHFFFAOYSA-N |
| Molecular Weight |
496.586 g/mol |
| SMILES |
C(C(COC(C)=O)(SCC)SCC)(C(C(COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979025 |
