| SpectraBase Compound ID | 8YJleYONeYq |
|---|---|
| InChI | InChI=1S/C18H33ClO4/c1-16(2)10-9-15-23-18(21)12-6-5-11-17(20)22-14-8-4-3-7-13-19/h16H,3-15H2,1-2H3 |
| InChIKey | XZUINASISVPNEK-UHFFFAOYSA-N |
| Mol Weight | 348.9 g/mol |
| Molecular Formula | C18H33ClO4 |
| Exact Mass | 348.206737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EO7wQ2ioUR6 |
|---|---|
| Name | Adipic acid, 6-chlorohexyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.206737239 u |
| Formula | C18H33ClO4 |
| InChI | InChI=1S/C18H33ClO4/c1-16(2)10-9-15-23-18(21)12-6-5-11-17(20)22-14-8-4-3-7-13-19/h16H,3-15H2,1-2H3 |
| InChIKey | XZUINASISVPNEK-UHFFFAOYSA-N |
| Molecular Weight | 348.911 g/mol |
| SMILES | C(CCCCC(=O)OCCCCCCCl)(OCCCC(C)C)=O |