| SpectraBase Compound ID | Kv5QGUg0xe5 |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-4-6-7-14-18-24-20(22)16-12-10-8-9-11-13-17-21(23)25-19(3)15-5-2/h5,19H,2,4,6-18H2,1,3H3 |
| InChIKey | YLNCBCIEXHVJSO-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 | 9X0Gk067RqA |
|---|---|
| Name | Sebacic acid, hexyl pent-4-en-2-yl 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/c1-4-6-7-14-18-24-20(22)16-12-10-8-9-11-13-17-21(23)25-19(3)15-5-2/h5,19H,2,4,6-18H2,1,3H3 |
| InChIKey | YLNCBCIEXHVJSO-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCC(OC(C)CC=C)=O)CCCCCC(OCCCCCC)=O |