| SpectraBase Spectrum ID |
sO1VTrfYFm |
| Name |
Pentanoic acid, 3-ethoxy-2-(hydroxymethyl)-3-oxopropyl ester, (-)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.131073739 u |
| Formula |
C11H20O5 |
| InChI |
InChI=1S/C11H20O5/c1-3-5-6-10(13)16-8-9(7-12)11(14)15-4-2/h9,12H,3-8H2,1-2H3 |
| InChIKey |
HBWYUZIFFZJJDG-UHFFFAOYSA-N |
| Molecular Weight |
232.276 g/mol |
| SMILES |
C(=O)(OCC)C(CO)COC(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815333 |
