| SpectraBase Compound ID | HnfB1rxClLW |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-4-7-9-10-15-21-17(19)13-11-14-18(20)22-16(6-3)12-8-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | PCXKIPAGEJZWGC-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tV7JSOLkgO |
|---|---|
| Name | Glutaric acid, 3-heptyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-4-7-9-10-15-21-17(19)13-11-14-18(20)22-16(6-3)12-8-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | PCXKIPAGEJZWGC-UHFFFAOYSA-N |
| SMILES | CCC(OC(CCCC(OCCCCCC)=O)=O)CCCC |