| SpectraBase Compound ID | A8neuKM6mdm |
|---|---|
| InChI | InChI=1S/C19H35ClO4/c1-3-4-5-6-7-8-9-12-15-23-18(21)13-10-11-14-19(22)24-16-17(2)20/h17H,3-16H2,1-2H3 |
| InChIKey | MMBHUUXRICXDCE-UHFFFAOYSA-N |
| Mol Weight | 362.9 g/mol |
| Molecular Formula | C19H35ClO4 |
| Exact Mass | 362.222387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OQUoXkIxV3 |
|---|---|
| Name | Adipic acid, 2-chloropropyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.222387303 u |
| Formula | C19H35ClO4 |
| InChI | InChI=1S/C19H35ClO4/c1-3-4-5-6-7-8-9-12-15-23-18(21)13-10-11-14-19(22)24-16-17(2)20/h17H,3-16H2,1-2H3 |
| InChIKey | MMBHUUXRICXDCE-UHFFFAOYSA-N |
| Molecular Weight | 362.938 g/mol |
| SMILES | C(CCCC(=O)OCC(C)Cl)C(OCCCCCCCCCC)=O |