| SpectraBase Compound ID | J3VdXyIYFRX |
|---|---|
| InChI | InChI=1S/C21H39ClO4/c1-2-3-4-12-18-25-20(23)15-14-16-21(24)26-19-13-10-8-6-5-7-9-11-17-22/h2-19H2,1H3 |
| InChIKey | FQHPBGDKGAZLCO-UHFFFAOYSA-N |
| Mol Weight | 391.0 g/mol |
| Molecular Formula | C21H39ClO4 |
| Exact Mass | 390.253687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 119jIcyyfY2 |
|---|---|
| Name | Glutaric acid, 10-chlorodecyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.253687432 u |
| Formula | C21H39ClO4 |
| InChI | InChI=1S/C21H39ClO4/c1-2-3-4-12-18-25-20(23)15-14-16-21(24)26-19-13-10-8-6-5-7-9-11-17-22/h2-19H2,1H3 |
| InChIKey | FQHPBGDKGAZLCO-UHFFFAOYSA-N |
| Molecular Weight | 390.992 g/mol |
| SMILES | C(CCCCCCOC(CCCC(OCCCCCC)=O)=O)CCCCl |