| SpectraBase Compound ID | 97g8iB7bsSK |
|---|---|
| InChI | InChI=1S/C17H29ClO4/c1-2-3-4-5-8-12-21-16(19)14-9-6-7-10-15(14)17(20)22-13-11-18/h14-15H,2-13H2,1H3 |
| InChIKey | ZCFISICVYITKBS-UHFFFAOYSA-N |
| Mol Weight | 332.87 g/mol |
| Molecular Formula | C17H29ClO4 |
| Exact Mass | 332.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | V85XTyeX5y |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.175437110 u |
| Formula | C17H29ClO4 |
| InChI | InChI=1S/C17H29ClO4/c1-2-3-4-5-8-12-21-16(19)14-9-6-7-10-15(14)17(20)22-13-11-18/h14-15H,2-13H2,1H3 |
| InChIKey | ZCFISICVYITKBS-UHFFFAOYSA-N |
| Molecular Weight | 332.868 g/mol |
| SMILES | C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCC)=O |