| SpectraBase Compound ID | 1ik2vlyoIK |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-8-9-12-15(4)21-17(19)13-10-14-18(20)22-16(7-3)11-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | RBEHWTABKYWASA-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 | C4rk7Jq2iYh |
|---|---|
| Name | Glutaric acid, hept-2-yl 3-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/c1-5-8-9-12-15(4)21-17(19)13-10-14-18(20)22-16(7-3)11-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | RBEHWTABKYWASA-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC(CCC)CC)=O |