| SpectraBase Compound ID | 7DehBJtFcKM |
|---|---|
| InChI | InChI=1S/C25H47ClO4/c1-3-4-5-6-11-14-18-23(2)30-25(28)20-17-19-24(27)29-22-16-13-10-8-7-9-12-15-21-26/h23H,3-22H2,1-2H3 |
| InChIKey | VPQAPBNOTYHEFK-UHFFFAOYSA-N |
| Mol Weight | 447.1 g/mol |
| Molecular Formula | C25H47ClO4 |
| Exact Mass | 446.316288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvFkv7Cpid9 |
|---|---|
| Name | Glutaric acid, dec-2-yl 10-chlorodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.316287689 u |
| Formula | C25H47ClO4 |
| InChI | InChI=1S/C25H47ClO4/c1-3-4-5-6-11-14-18-23(2)30-25(28)20-17-19-24(27)29-22-16-13-10-8-7-9-12-15-21-26/h23H,3-22H2,1-2H3 |
| InChIKey | VPQAPBNOTYHEFK-UHFFFAOYSA-N |
| Molecular Weight | 447.100 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)C(OC(CCCCCCCC)C)=O |