| SpectraBase Compound ID | Kh6jyFsH0pG |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-8(2)14-10(12)6-5-7-11(13)15-9(3)4/h8-9H,5-7H2,1-4H3 |
| InChIKey | MSQKMFXJFBXZNQ-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FkPBIIXSXex |
|---|---|
| Name | Glutaric acid, diisopropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-8(2)14-10(12)6-5-7-11(13)15-9(3)4/h8-9H,5-7H2,1-4H3 |
| InChIKey | MSQKMFXJFBXZNQ-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | CC(OC(CCCC(OC(C)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919728 |