| SpectraBase Spectrum ID |
G4DUt8ACyo1 |
| Name |
D-Glucopyranose, 3-acetyl-2,4-dibenzoyl-6-chloro-1-methylthio-1,6-dideoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.085301948 u |
| Formula |
C23H23ClO7S |
| InChI |
InChI=1S/C23H23ClO7S/c1-14(25)28-19-18(30-21(26)15-9-5-3-6-10-15)17(13-24)29-23(32-2)20(19)31-22(27)16-11-7-4-8-12-16/h3-12,17-20,23H,13H2,1-2H3/t17-,18-,19+,20-,23?/m1/s1 |
| InChIKey |
IJQSSNMDOWEIEF-GDRPGVOGSA-N |
| Molecular Weight |
478.943 g/mol |
| SMILES |
[C@@]1([C@](OC([C@@]([C@]1(OC(C)=O)[H])(OC(=O)C1=CC=CC=C1)[H])SC)(CCl)[H])(OC(C1=CC=CC=C1)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978009 |
