| SpectraBase Spectrum ID |
5aX4RmGDDOc |
| Name |
Phenyl 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 |
352.134445042 u |
| Formula |
C18H24O5S |
| InChI |
InChI=1S/C18H24O5S/c1-17(2)19-10-12(21-17)13-14-15(23-18(3,4)22-14)16(20-13)24-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1 |
| InChIKey |
YLWWDUNGLIZGHD-OWYFMNJBSA-N |
| Molecular Weight |
352.445 g/mol |
| SMILES |
[C@@]12([C@]([C@@]([C@@]3(OC(C)(C)OC3)[H])(O[C@]1(SC=1C=CC=CC1)[H])[H])(OC(O2)(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928116 |
