| SpectraBase Compound ID | KlpBJfsCgAB |
|---|---|
| InChI | InChI=1S/C18H31ClO4/c1-2-3-4-5-6-9-13-22-17(20)15-10-7-8-11-16(15)18(21)23-14-12-19/h15-16H,2-14H2,1H3 |
| InChIKey | TWWCWZSTVJDFMZ-UHFFFAOYSA-N |
| Mol Weight | 346.9 g/mol |
| Molecular Formula | C18H31ClO4 |
| Exact Mass | 346.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8pyXDrJmTj |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.191087174 u |
| Formula | C18H31ClO4 |
| InChI | InChI=1S/C18H31ClO4/c1-2-3-4-5-6-9-13-22-17(20)15-10-7-8-11-16(15)18(21)23-14-12-19/h15-16H,2-14H2,1H3 |
| InChIKey | TWWCWZSTVJDFMZ-UHFFFAOYSA-N |
| Molecular Weight | 346.895 g/mol |
| SMILES | C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCCC)=O |