| SpectraBase Spectrum ID |
44LDYpdxXh1 |
| Name |
.alpha.-1,2 : 4,5-Diisopropylidene-5-thioglucopyranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.103144913 u |
| Formula |
C12H20O5S |
| InChI |
InChI=1S/C12H20O5S/c1-11(2)14-5-6-8(15-11)7(13)9-10(18-6)17-12(3,4)16-9/h6-10,13H,5H2,1-4H3/t6-,7+,8-,9?,10-/m1/s1 |
| InChIKey |
IBCFACKAHKSCMG-ROTXYRCQSA-N |
| SMILES |
C12[C@@](S[C@]3([C@]([C@@]2(O)[H])(OC(OC3)(C)C)[H])[H])(OC(O1)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96328 |
