| SpectraBase Compound ID | 7VhwbJbvFjt |
|---|---|
| InChI | InChI=1S/C25H39ClO4/c1-2-3-4-5-8-11-14-21-29-24(27)15-12-9-6-7-10-13-16-25(28)30-23-19-17-22(26)18-20-23/h17-20H,2-16,21H2,1H3 |
| InChIKey | DKRUEAGJRVRRPP-UHFFFAOYSA-N |
| Mol Weight | 439.0 g/mol |
| Molecular Formula | C25H39ClO4 |
| Exact Mass | 438.253687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5f3fwTe1Uy9 |
|---|---|
| Name | Sebacic acid, 4-chlorophenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.253687432 u |
| Formula | C25H39ClO4 |
| InChI | InChI=1S/C25H39ClO4/c1-2-3-4-5-8-11-14-21-29-24(27)15-12-9-6-7-10-13-16-25(28)30-23-19-17-22(26)18-20-23/h17-20H,2-16,21H2,1H3 |
| InChIKey | DKRUEAGJRVRRPP-UHFFFAOYSA-N |
| Molecular Weight | 439.036 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(C=C1)Cl)=O)C(OCCCCCCCCC)=O |