| SpectraBase Spectrum ID |
2cRynqVvkTO |
| Name |
Ethyl 2,3,4,6-o-tetraacetyl-1-thio-.beta.-D-glucopyranoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.114103518 u |
| Formula |
C16H24O9S |
| InChI |
InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13+,14-,15-,16-/m0/s1 |
| InChIKey |
YPNFVZQPWZMHIF-QRJUGERDSA-N |
| Molecular Weight |
392.419 g/mol |
| SMILES |
[C@@]1([C@@](O[C@]([C@]([C@]1(OC(=O)C)[H])(OC(C)=O)[H])(SCC)[H])(COC(C)=O)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980627 |
