| SpectraBase Spectrum ID |
IYaa6DmOhXm |
| Name |
Acetyl-2,3,4,6-tetra-o-acetyl-5-thio-D-glucopyranoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.093368072 u |
| Formula |
C16H22O10S |
| InChI |
InChI=1S/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1 |
| InChIKey |
RFPPVTQRDZKNPS-IBEHDNSVSA-N |
| Molecular Weight |
406.402 g/mol |
| SMILES |
[C@]1([C@@]([C@@](OC(C)=O)([C@@]([C@](S1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976978 |
