| SpectraBase Compound ID | KpzCUyjOZau |
|---|---|
| InChI | InChI=1S/C12H22O5/c1-9(2)5-16-11(13)7-15-8-12(14)17-6-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | OUAMATOUUTZOLD-UHFFFAOYSA-N |
| Mol Weight | 246.3 g/mol |
| Molecular Formula | C12H22O5 |
| Exact Mass | 246.146724 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GHU0sdiXlqr |
|---|---|
| Name | Diglycolic acid, di(isobutyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.146723803 u |
| Formula | C12H22O5 |
| InChI | InChI=1S/C12H22O5/c1-9(2)5-16-11(13)7-15-8-12(14)17-6-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | OUAMATOUUTZOLD-UHFFFAOYSA-N |
| Molecular Weight | 246.303 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933473 |