| SpectraBase Spectrum ID |
49wg0tMc56L |
| Name |
L-Glycero-L-talo-nonose, 2,3,7,8-tetradeoxy-2,8-dimethyl-4,6-di-o-methyl-, 1,3-propanediyl mercaptal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.174201854 u |
| Formula |
C16H32O4S2 |
| InChI |
InChI=1S/C16H32O4S2/c1-11(10-17)8-13(19-3)15(18)14(20-4)9-12(2)16-21-6-5-7-22-16/h11-18H,5-10H2,1-4H3/t11-,12-,13+,14+,15-/m1/s1 |
| InChIKey |
XCAKDVHYKFPRTI-NIFZNCRKSA-N |
| Molecular Weight |
352.548 g/mol |
| SMILES |
[C@@]([C@](C[C@](C1SCCCS1)(C)[H])(OC)[H])([C@](C[C@](CO)(C)[H])(OC)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838189 |
