| SpectraBase Spectrum ID |
2r6xNBFORCe |
| Name |
Pyridyl 2,3 : 5,6-di-o-isopropylidene-1-thio-.beta.-D-mannofuranoside |
| 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)12-13-14(23-17(3,4)22-13)15(20-12)24-11-7-5-6-8-18-11/h5-8,10,12-15H,9H2,1-4H3/t10-,12-,13+,14+,15+/m1/s1 |
| InChIKey |
KLLFKYPJRXTDEW-IKSZGEOFSA-N |
| Molecular Weight |
353.433 g/mol |
| SMILES |
[C@@]12([C@]([C@@]([C@@]3(OC(C)(C)OC3)[H])(O[C@]1(SC1=NC=CC=C1)[H])[H])(OC(O2)(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855918 |
