| SpectraBase Spectrum ID |
6C9iK56LyuD |
| Name |
4,5-o-Cyclohexylidene-2,3-dideoxyaldehydro-D-glycero-trans-pent-2-enose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.109944372 u |
| Formula |
C11H16O3 |
| InChI |
InChI=1S/C11H16O3/c12-8-4-5-10-9-13-11(14-10)6-2-1-3-7-11/h4-5,8,10H,1-3,6-7,9H2/b5-4+/t10-/m0/s1 |
| InChIKey |
BXDXFQJDFVEQEA-YEZKRMTDSA-N |
| Molecular Weight |
196.246 g/mol |
| SMILES |
C12(O[C@@](\C=C\C=O)(CO2)[H])CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863793 |
