| SpectraBase Compound ID | E0O5B0oeFoA |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-4-5-6-13-17-24-20(22)14-11-9-7-8-10-12-15-21(23)25-18-16-19(2)3/h16H,4-15,17-18H2,1-3H3 |
| InChIKey | MORPBSJZTWGDQD-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6j4Y9QOcpxv |
|---|---|
| Name | Sebacic acid, hexyl 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-4-5-6-13-17-24-20(22)14-11-9-7-8-10-12-15-21(23)25-18-16-19(2)3/h16H,4-15,17-18H2,1-3H3 |
| InChIKey | MORPBSJZTWGDQD-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCC)=O)(OCC=C(C)C)=O |