| SpectraBase Compound ID | BYhEP22Vx6N |
|---|---|
| InChI | InChI=1S/C20H37ClO4/c1-18(2)12-11-17-25-20(23)14-8-7-13-19(22)24-16-10-6-4-3-5-9-15-21/h18H,3-17H2,1-2H3 |
| InChIKey | FMZUTOFLYCLHDY-UHFFFAOYSA-N |
| Mol Weight | 377.0 g/mol |
| Molecular Formula | C20H37ClO4 |
| Exact Mass | 376.238037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43OWLbSOoCY |
|---|---|
| Name | Adipic acid, 8-chloroctyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.238037367 u |
| Formula | C20H37ClO4 |
| InChI | InChI=1S/C20H37ClO4/c1-18(2)12-11-17-25-20(23)14-8-7-13-19(22)24-16-10-6-4-3-5-9-15-21/h18H,3-17H2,1-2H3 |
| InChIKey | FMZUTOFLYCLHDY-UHFFFAOYSA-N |
| Molecular Weight | 376.965 g/mol |
| SMILES | C(OCCCCCCCCCl)(CCCCC(OCCCC(C)C)=O)=O |