| SpectraBase Compound ID | 78QBOm8rzHh |
|---|---|
| InChI | InChI=1S/C24H37ClO4/c1-2-3-4-11-19-28-23(26)12-9-7-5-6-8-10-13-24(27)29-20-18-21-14-16-22(25)17-15-21/h14-17H,2-13,18-20H2,1H3 |
| InChIKey | CDSZGDBZSBWVDC-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 | 2kQnTItx4We |
|---|---|
| Name | Sebacic acid, 4-chlorophenethyl hexyl 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/c1-2-3-4-11-19-28-23(26)12-9-7-5-6-8-10-13-24(27)29-20-18-21-14-16-22(25)17-15-21/h14-17H,2-13,18-20H2,1H3 |
| InChIKey | CDSZGDBZSBWVDC-UHFFFAOYSA-N |
| Molecular Weight | 425.009 g/mol |
| SMILES | C(CCCCCCCC(OCCC1=CC=C(C=C1)Cl)=O)C(OCCCCCC)=O |