| SpectraBase Compound ID | 2c3wzmJ7yRD |
|---|---|
| InChI | InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-7-11-16-27-21(25)12-9-8-10-13-22(26)28-20-17-18(23)14-15-19(20)24/h14-15,17H,2-13,16H2,1H3 |
| InChIKey | AOBXHUNBIAJPIL-UHFFFAOYSA-N |
| Mol Weight | 431.4 g/mol |
| Molecular Formula | C22H32Cl2O4 |
| Exact Mass | 430.167765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hG75BMVm2V |
|---|---|
| Name | Pimelic acid, 2,5-dichlorophenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.167764906 u |
| Formula | C22H32Cl2O4 |
| InChI | InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-7-11-16-27-21(25)12-9-8-10-13-22(26)28-20-17-18(23)14-15-19(20)24/h14-15,17H,2-13,16H2,1H3 |
| InChIKey | AOBXHUNBIAJPIL-UHFFFAOYSA-N |
| Molecular Weight | 431.400 g/mol |
| SMILES | C(CCCC(OCCCCCCCCC)=O)CC(OC=1C=C(C=CC1Cl)Cl)=O |