| SpectraBase Compound ID | 60xarqNej8K |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-5-6-7-11-19(14-16-24-4)17-26-21(23)13-8-12-20(22)25-15-9-10-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | BOFSAKKNUFPWPD-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H40O5 |
| Exact Mass | 372.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXKC1eX3d7t |
|---|---|
| Name | Glutaric acid, isohexyl 2-(2-methoxyethyl)heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.287574383 u |
| Formula | C21H40O5 |
| InChI | InChI=1S/C21H40O5/c1-5-6-7-11-19(14-16-24-4)17-26-21(23)13-8-12-20(22)25-15-9-10-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | BOFSAKKNUFPWPD-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OCC(CCCCC)CCOC)=O)=O |