| SpectraBase Compound ID | JRBUtGJTnhW |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-17(2)11-10-14-23-18(20)12-8-6-4-5-7-9-13-19(21)24-16-15-22-3/h17H,4-16H2,1-3H3 |
| InChIKey | UPFNIFNYOOEFOC-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5w4rfWLeCxf |
|---|---|
| Name | Sebacic acid, isohexyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-17(2)11-10-14-23-18(20)12-8-6-4-5-7-9-13-19(21)24-16-15-22-3/h17H,4-16H2,1-3H3 |
| InChIKey | UPFNIFNYOOEFOC-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCC(C)C)=O)=O)COC |