| SpectraBase Spectrum ID |
LVMlRYCIXgx |
| Name |
1,2:5,6-di-o-Isopropylidene-3-o-(4-fluorophenoxy)thionocarbonyl-.alpha.-D-glucofuranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.114852411 u |
| Formula |
C19H23FO7S |
| InChI |
InChI=1S/C19H23FO7S/c1-18(2)21-9-12(25-18)13-14(15-16(23-13)27-19(3,4)26-15)24-17(28)22-11-7-5-10(20)6-8-11/h5-8,12-16H,9H2,1-4H3 |
| InChIKey |
FKOCZXXTRFFPPK-UHFFFAOYSA-N |
| Molecular Weight |
414.444 g/mol |
| SMILES |
C12C(OC(C2OC(=S)OC=2C=CC(=CC2)F)C2OC(C)(C)OC2)OC(O1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965326 |
