| SpectraBase Spectrum ID |
8IbSApmmINV |
| Name |
3.beta.-(2-Pyridylthio)-3-deoxy-1,2:5,6-di-o-isopropylidene-D-glucofuranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.129694014 u |
| Formula |
C17H23NO5S |
| InChI |
InChI=1S/C17H23NO5S/c1-16(2)19-9-10(21-16)12-14(24-11-7-5-6-8-18-11)13-15(20-12)23-17(3,4)22-13/h5-8,10,12-15H,9H2,1-4H3/t10-,12-,13-,14+,15?/m1/s1 |
| InChIKey |
JWJRBFIHLBLOET-RVNFBZNISA-N |
| Molecular Weight |
353.433 g/mol |
| SMILES |
[C@]12([C@]([C@@]([C@@]3(OC(C)(C)OC3)[H])(OC1OC(O2)(C)C)[H])(SC1=NC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894267 |
