| SpectraBase Compound ID | 5EF5Y8PQQtZ |
|---|---|
| InChI | InChI=1S/C19H33ClO4/c1-2-3-4-5-6-7-10-14-23-18(21)16-11-8-9-12-17(16)19(22)24-15-13-20/h16-17H,2-15H2,1H3 |
| InChIKey | KLGRZMKDNHJDHJ-UHFFFAOYSA-N |
| Mol Weight | 360.9 g/mol |
| Molecular Formula | C19H33ClO4 |
| Exact Mass | 360.206737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4t6HQ1N1ae1 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.206737239 u |
| Formula | C19H33ClO4 |
| InChI | InChI=1S/C19H33ClO4/c1-2-3-4-5-6-7-10-14-23-18(21)16-11-8-9-12-17(16)19(22)24-15-13-20/h16-17H,2-15H2,1H3 |
| InChIKey | KLGRZMKDNHJDHJ-UHFFFAOYSA-N |
| Molecular Weight | 360.922 g/mol |
| SMILES | C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCCCC)=O |