| SpectraBase Compound ID | 7JMzL2HeglT |
|---|---|
| InChI | InChI=1S/C11H20O5/c1-4-5-15-10(12)7-14-8-11(13)16-6-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey | XYDWJMHQWBOITH-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 | 5NnkBW8Q04 |
|---|---|
| Name | Diglycolic acid, isobutyl propyl 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/c1-4-5-15-10(12)7-14-8-11(13)16-6-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey | XYDWJMHQWBOITH-UHFFFAOYSA-N |
| Molecular Weight | 232.276 g/mol |
| SMILES | C(COCC(=O)OCCC)(=O)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871023 |