| SpectraBase Spectrum ID |
H9YGsz9FhwN |
| Name |
Hexanoic acid, 5,6-dihydroxy-4-oxo-, methyl ester, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.068473481 u |
| Formula |
C7H12O5 |
| InChI |
InChI=1S/C7H12O5/c1-12-7(11)3-2-5(9)6(10)4-8/h6,8,10H,2-4H2,1H3/t6-/m0/s1 |
| InChIKey |
SBLWCDQWIUTZCA-LURJTMIESA-N |
| Molecular Weight |
176.168 g/mol |
| SMILES |
C([C@@](O)(CO)[H])(=O)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909406 |
