| SpectraBase Compound ID | J7KNbIafzrE |
|---|---|
| InChI | InChI=1S/C27H51ClO4/c1-2-3-4-5-9-14-19-24-31-26(29)21-16-11-6-7-12-17-22-27(30)32-25-20-15-10-8-13-18-23-28/h2-25H2,1H3 |
| InChIKey | IRCLOFLNAPXQCY-UHFFFAOYSA-N |
| Mol Weight | 475.2 g/mol |
| Molecular Formula | C27H51ClO4 |
| Exact Mass | 474.347588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vJ6P8duUi0 |
|---|---|
| Name | Sebacic acid, 8-chlorooctyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.347587818 u |
| Formula | C27H51ClO4 |
| InChI | InChI=1S/C27H51ClO4/c1-2-3-4-5-9-14-19-24-31-26(29)21-16-11-6-7-12-17-22-27(30)32-25-20-15-10-8-13-18-23-28/h2-25H2,1H3 |
| InChIKey | IRCLOFLNAPXQCY-UHFFFAOYSA-N |
| Molecular Weight | 475.154 g/mol |
| SMILES | C(CCCCC(OCCCCCCCCCl)=O)CCCC(OCCCCCCCCC)=O |