| SpectraBase Compound ID | HV1L6MRvjIx |
|---|---|
| InChI | InChI=1S/C21H39ClO4/c1-4-19(18(2)3)26-21(24)15-13-14-20(23)25-17-12-10-8-6-5-7-9-11-16-22/h18-19H,4-17H2,1-3H3 |
| InChIKey | LVSFIDVSKSCXQA-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 | 8v2slNZ2RQh |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 10-chlorodecyl 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/c1-4-19(18(2)3)26-21(24)15-13-14-20(23)25-17-12-10-8-6-5-7-9-11-16-22/h18-19H,4-17H2,1-3H3 |
| InChIKey | LVSFIDVSKSCXQA-UHFFFAOYSA-N |
| Molecular Weight | 390.992 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)C(OC(C(C)C)CC)=O |