| SpectraBase Compound ID | 1MoGPLgXy0v |
|---|---|
| InChI | InChI=1S/C15H28O5/c1-5-13(4)9-20-15(17)11-18-10-14(16)19-8-6-7-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | AHUIXQXHCCAIBN-UHFFFAOYSA-N |
| Mol Weight | 288.38 g/mol |
| Molecular Formula | C15H28O5 |
| Exact Mass | 288.193674 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AT6X5xnw6Lr |
|---|---|
| Name | Diglycolic acid, isohexyl 2-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.193673997 u |
| Formula | C15H28O5 |
| InChI | InChI=1S/C15H28O5/c1-5-13(4)9-20-15(17)11-18-10-14(16)19-8-6-7-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | AHUIXQXHCCAIBN-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCCC(C)C)(=O)OCC(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90922 |