| SpectraBase Compound ID | 1G0VxqH6j4I |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-5-6-19-27-23(25)16-11-9-7-8-10-12-17-24(26)28-20-18-22(4)15-13-14-21(2)3/h14,18H,5-13,15-17,19-20H2,1-4H3/b22-18+ |
| InChIKey | FAKMWWJBXOOCDJ-RELWKKBWSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C24H42O4 |
| Exact Mass | 394.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZE7o64ruL |
|---|---|
| Name | Sebacic acid, butyl geranyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.308309828 u |
| Formula | C24H42O4 |
| InChI | InChI=1S/C24H42O4/c1-5-6-19-27-23(25)16-11-9-7-8-10-12-17-24(26)28-20-18-22(4)15-13-14-21(2)3/h14,18H,5-13,15-17,19-20H2,1-4H3/b22-18+ |
| InChIKey | FAKMWWJBXOOCDJ-RELWKKBWSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(=CCC\C(=C\COC(CCCCCCCCC(OCCCC)=O)=O)C)(C)C |