| SpectraBase Spectrum ID |
AaOxqbxXHn9 |
| Name |
Diethyl hydroxy(4-hydroxy-2-methylidenebutyl)propanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.125988358 u |
| Formula |
C12H20O6 |
| InChI |
InChI=1S/C12H20O6/c1-4-17-10(14)12(16,11(15)18-5-2)8-9(3)6-7-13/h13,16H,3-8H2,1-2H3 |
| InChIKey |
DHPMNGNLHZVTQC-UHFFFAOYSA-N |
| Molecular Weight |
260.286 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC(=C)CCO)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966911 |
