| SpectraBase Compound ID | 3Ipg5QcTIiT |
|---|---|
| InChI | InChI=1S/C11H20O5/c1-3-7-15-10(13)6-5-9(12)11(14)16-8-4-2/h9,12H,3-8H2,1-2H3 |
| InChIKey | QNVUHEODBZVAGW-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C11H20O5 |
| Exact Mass | 232.131074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GRCCtVUns6K |
|---|---|
| Name | (+-)-di-N-propyl 2-hydroxypentandioate |
| 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/c1-3-7-15-10(13)6-5-9(12)11(14)16-8-4-2/h9,12H,3-8H2,1-2H3 |
| InChIKey | QNVUHEODBZVAGW-UHFFFAOYSA-N |
| Molecular Weight | 232.276 g/mol |
| SMILES | C(=O)(C(CCC(=O)OCCC)O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983775 |