| SpectraBase Compound ID | En0gSiL78yO |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-4-16(3)14-15-22-18(20)13-11-9-7-6-8-10-12-17(19)21-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | BQCSOYIPJOCULF-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 | Al7oQiq28nm |
|---|---|
| Name | Sebacic acid, ethyl 3-methylpentyl 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/c1-4-16(3)14-15-22-18(20)13-11-9-7-6-8-10-12-17(19)21-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | BQCSOYIPJOCULF-UHFFFAOYSA-N |
| SMILES | C(CCCCCC(OCCC(C)CC)=O)CCC(OCC)=O |