| SpectraBase Compound ID | FyrC1GBtRG0 |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-15-22-18(20)13-11-9-7-8-10-12-14-19(21)23-17(6-2)16(3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | ILQSKCKDBGMBMD-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvQb7ufl5Y6 |
|---|---|
| Name | Sebacic acid, 2-methylpent-3-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-5-15-22-18(20)13-11-9-7-8-10-12-14-19(21)23-17(6-2)16(3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | ILQSKCKDBGMBMD-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCCCC(OC(C(C)C)CC)=O)CCCC(OCCC)=O |