| SpectraBase Compound ID | aW3If8khSS |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-8-9-11-16(7-2)22-18(20)13-10-12-17(19)21-15(5)14(3)4/h14-16H,6-13H2,1-5H3 |
| InChIKey | TXCFQMKIMJUSQV-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 | 6NNWGsUaG8W |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 3-octyl 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/c1-6-8-9-11-16(7-2)22-18(20)13-10-12-17(19)21-15(5)14(3)4/h14-16H,6-13H2,1-5H3 |
| InChIKey | TXCFQMKIMJUSQV-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC(CCCCC)CC)=O |