| SpectraBase Compound ID | 7zGqn1GqTYG |
|---|---|
| InChI | InChI=1S/C24H37ClO4/c1-2-3-4-5-10-13-19-28-23(26)17-11-8-6-7-9-12-18-24(27)29-22-16-14-15-21(25)20-22/h14-16,20H,2-13,17-19H2,1H3 |
| InChIKey | AUPBFYHUWSLFTP-UHFFFAOYSA-N |
| Mol Weight | 425.0 g/mol |
| Molecular Formula | C24H37ClO4 |
| Exact Mass | 424.238037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8H3VGwKR8qb |
|---|---|
| Name | Sebacic acid, 3-chlorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.238037367 u |
| Formula | C24H37ClO4 |
| InChI | InChI=1S/C24H37ClO4/c1-2-3-4-5-10-13-19-28-23(26)17-11-8-6-7-9-12-18-24(27)29-22-16-14-15-21(25)20-22/h14-16,20H,2-13,17-19H2,1H3 |
| InChIKey | AUPBFYHUWSLFTP-UHFFFAOYSA-N |
| Molecular Weight | 425.009 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=CC(=C1)Cl)=O)C(OCCCCCCCC)=O |