| SpectraBase Compound ID | HRTefQ4xzFv |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-3-4-5-8-13-23-18(21)9-6-7-10-19(22)24-17-14-15(2)11-12-16(17)20/h11-12,14H,3-10,13H2,1-2H3 |
| InChIKey | MJUGRSCFIOHGGS-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C19H27ClO4 |
| Exact Mass | 354.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IWV8I1KFZ6 |
|---|---|
| Name | Adipic acid, 2-chloro-5-methylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.159787045 u |
| Formula | C19H27ClO4 |
| InChI | InChI=1S/C19H27ClO4/c1-3-4-5-8-13-23-18(21)9-6-7-10-19(22)24-17-14-15(2)11-12-16(17)20/h11-12,14H,3-10,13H2,1-2H3 |
| InChIKey | MJUGRSCFIOHGGS-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C(CCCC(OC1=CC(C)=CC=C1Cl)=O)C(OCCCCCC)=O |