| SpectraBase Compound ID | 38DpCJYSTpk |
|---|---|
| InChI | InChI=1S/C22H39ClO4/c23-17-10-5-3-1-2-4-6-11-18-26-21(24)15-12-16-22(25)27-19-20-13-8-7-9-14-20/h20H,1-19H2 |
| InChIKey | FLCMGNKTCRCPBB-UHFFFAOYSA-N |
| Mol Weight | 403.0 g/mol |
| Molecular Formula | C22H39ClO4 |
| Exact Mass | 402.253687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90NHG9gLpug |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 10-chlorodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.253687432 u |
| Formula | C22H39ClO4 |
| InChI | InChI=1S/C22H39ClO4/c23-17-10-5-3-1-2-4-6-11-18-26-21(24)15-12-16-22(25)27-19-20-13-8-7-9-14-20/h20H,1-19H2 |
| InChIKey | FLCMGNKTCRCPBB-UHFFFAOYSA-N |
| Molecular Weight | 403.003 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)C(OCC1CCCCC1)=O |