| SpectraBase Compound ID | AFgFWfpkS3s |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-5-6-7-9-17(12-13-22-4)15-24-19(21)11-8-10-18(20)23-14-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey | LQPQHHHCENOCAR-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CSZcbsfiD8 |
|---|---|
| Name | Glutaric acid, isobutyl 2-(2-methoxyethyl)heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-5-6-7-9-17(12-13-22-4)15-24-19(21)11-8-10-18(20)23-14-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey | LQPQHHHCENOCAR-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | CC(C)COC(CCCC(OCC(CCCCC)CCOC)=O)=O |