| SpectraBase Compound ID | KYz47WAE7Mc |
|---|---|
| InChI | InChI=1S/C15H27ClO4/c1-12(2)7-6-10-19-14(17)8-4-5-9-15(18)20-11-13(3)16/h12-13H,4-11H2,1-3H3 |
| InChIKey | ZMRLMLDKSVHUNW-UHFFFAOYSA-N |
| Mol Weight | 306.83 g/mol |
| Molecular Formula | C15H27ClO4 |
| Exact Mass | 306.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FA9d8QuKC8V |
|---|---|
| Name | Adipic acid, 2-chloropropyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.159787045 u |
| Formula | C15H27ClO4 |
| InChI | InChI=1S/C15H27ClO4/c1-12(2)7-6-10-19-14(17)8-4-5-9-15(18)20-11-13(3)16/h12-13H,4-11H2,1-3H3 |
| InChIKey | ZMRLMLDKSVHUNW-UHFFFAOYSA-N |
| Molecular Weight | 306.830 g/mol |
| SMILES | C(CCCC(=O)OCC(C)Cl)C(OCCCC(C)C)=O |