| SpectraBase Compound ID | JCpNsPYNFm |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-3-23-18(21)10-8-6-4-5-7-9-11-19(22)24-17-14-15(2)12-13-16(17)20/h12-14H,3-11H2,1-2H3 |
| InChIKey | MKLHFXMFPYLPCL-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 | FjfGEu2kKFt |
|---|---|
| Name | Sebacic acid, 2-chloro-5-methylphenyl ethyl 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/c1-3-23-18(21)10-8-6-4-5-7-9-11-19(22)24-17-14-15(2)12-13-16(17)20/h12-14H,3-11H2,1-2H3 |
| InChIKey | MKLHFXMFPYLPCL-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C(CCCC(OC1=CC(C)=CC=C1Cl)=O)CCCCC(OCC)=O |