| SpectraBase Spectrum ID |
Cnakx51hUEp |
| Name |
(-)-1,6-dideoxy-2,5-di-o-benzyl-3,4-dihydroxy-1,6-thia-D-mannitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.139530423 u |
| Formula |
C20H24O4S |
| InChI |
InChI=1S/C20H24O4S/c21-19-17(23-11-15-7-3-1-4-8-15)13-25-14-18(20(19)22)24-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-,19+,20+/m1/s1 |
| InChIKey |
XEVSZDPJOWDVJH-ZRNYENFQSA-N |
| Molecular Weight |
360.468 g/mol |
| SMILES |
[C@@]1([C@]([C@](OCC2=CC=CC=C2)(CSC[C@]1(OCC1=CC=CC=C1)[H])[H])(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953819 |
