| SpectraBase Compound ID | BPv02PzACkP |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-2-22-17(20)13-7-5-3-4-6-8-14-18(21)23-16-12-10-9-11-15(16)19/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | HMBINRDBNHSSHJ-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbO41eIrRyZ |
|---|---|
| Name | Sebacic acid, 2-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-2-22-17(20)13-7-5-3-4-6-8-14-18(21)23-16-12-10-9-11-15(16)19/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | HMBINRDBNHSSHJ-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=CC=C1Cl)=O)C(OCC)=O |