| SpectraBase Compound ID | LBTliFTt34X |
|---|---|
| InChI | InChI=1S/C15H27ClO4/c1-2-12-19-14(17)9-5-6-10-15(18)20-13-8-4-3-7-11-16/h2-13H2,1H3 |
| InChIKey | PHNWGZONDAUREV-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 | IZ0fU0e2dUi |
|---|---|
| Name | Adipic acid, 6-chlorohexyl propyl 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/c1-2-12-19-14(17)9-5-6-10-15(18)20-13-8-4-3-7-11-16/h2-13H2,1H3 |
| InChIKey | PHNWGZONDAUREV-UHFFFAOYSA-N |
| Molecular Weight | 306.830 g/mol |
| SMILES | C(CCCC(=O)OCCCCCCCl)C(OCCC)=O |