| SpectraBase Compound ID | GO6d49bPXEB |
|---|---|
| InChI | InChI=1S/C30H54O4/c1-3-5-7-9-11-12-13-16-20-24-28-34-30(32)26-22-18-15-14-17-21-25-29(31)33-27-23-19-10-8-6-4-2/h3-4,6,8-28H2,1-2H3 |
| InChIKey | UPDOBTXXBBVEOE-UHFFFAOYSA-N |
| Mol Weight | 478.8 g/mol |
| Molecular Formula | C30H54O4 |
| Exact Mass | 478.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYrnlgU6IKm |
|---|---|
| Name | Sebacic acid, dodec-9-ynyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 478.402210215 u |
| Formula | C30H54O4 |
| InChI | InChI=1S/C30H54O4/c1-3-5-7-9-11-12-13-16-20-24-28-34-30(32)26-22-18-15-14-17-21-25-29(31)33-27-23-19-10-8-6-4-2/h3-4,6,8-28H2,1-2H3 |
| InChIKey | UPDOBTXXBBVEOE-UHFFFAOYSA-N |
| Molecular Weight | 478.758 g/mol |
| SMILES | C(CCCCCCOC(CCCCCCCCC(OCCCCCCCC)=O)=O)CC#CCC |