| SpectraBase Compound ID | 2aw4ucHVfPh |
|---|---|
| InChI | InChI=1S/C27H48O4/c1-3-5-7-8-9-10-11-14-17-21-25-31-27(29)23-19-16-13-12-15-18-22-26(28)30-24-20-6-4-2/h3-4,6,8-25H2,1-2H3 |
| InChIKey | OCHXVMKNWICFQG-UHFFFAOYSA-N |
| Mol Weight | 436.7 g/mol |
| Molecular Formula | C27H48O4 |
| Exact Mass | 436.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JfLVO3H7aH |
|---|---|
| Name | Sebacic acid, dodec-9-ynyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.355260022 u |
| Formula | C27H48O4 |
| InChI | InChI=1S/C27H48O4/c1-3-5-7-8-9-10-11-14-17-21-25-31-27(29)23-19-16-13-12-15-18-22-26(28)30-24-20-6-4-2/h3-4,6,8-25H2,1-2H3 |
| InChIKey | OCHXVMKNWICFQG-UHFFFAOYSA-N |
| Molecular Weight | 436.677 g/mol |
| SMILES | C(CCCCCCOC(CCCCCCCCC(OCCCCC)=O)=O)CC#CCC |