| SpectraBase Compound ID | 1WHKB7SRujF |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-5-6-10-19(13-16-24-4)14-17-26-21(23)12-7-11-20(22)25-15-8-9-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | QQGQTVOYRSPIDO-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 | 5bNcDESWLvi |
|---|---|
| Name | Glutaric acid, isohexyl 3-(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/c1-5-6-10-19(13-16-24-4)14-17-26-21(23)12-7-11-20(22)25-15-8-9-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | QQGQTVOYRSPIDO-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OCCC(CCCC)CCOC)=O)=O |