| SpectraBase Compound ID | Jwn2WGbbtAo |
|---|---|
| InChI | InChI=1S/C20H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-19(23)14-13-15-20(24)26-17-18(21)22/h18H,2-10,13-17H2,1H3 |
| InChIKey | JUMAKTXMLFVCGA-UHFFFAOYSA-N |
| Mol Weight | 407.4 g/mol |
| Molecular Formula | C20H32Cl2O4 |
| Exact Mass | 406.167765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8yJpxPZAOT5 |
|---|---|
| Name | Glutaric acid, tridec-2-yn-1-yl 2,2-dichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.167764906 u |
| Formula | C20H32Cl2O4 |
| InChI | InChI=1S/C20H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-19(23)14-13-15-20(24)26-17-18(21)22/h18H,2-10,13-17H2,1H3 |
| InChIKey | JUMAKTXMLFVCGA-UHFFFAOYSA-N |
| Molecular Weight | 407.378 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC(Cl)Cl)=O |