| SpectraBase Compound ID | HNWCJN7FkiH |
|---|---|
| InChI | InChI=1S/C19H25Cl3O4/c20-13-5-3-1-2-4-6-14-25-17(23)11-8-12-18(24)26-16-10-7-9-15(21)19(16)22/h7,9-10H,1-6,8,11-14H2 |
| InChIKey | YMDOBJNWMYJWQB-UHFFFAOYSA-N |
| Mol Weight | 423.76 g/mol |
| Molecular Formula | C19H25Cl3O4 |
| Exact Mass | 422.081842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kFmXj1zXKL |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 2,3-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.081842381 u |
| Formula | C19H25Cl3O4 |
| InChI | InChI=1S/C19H25Cl3O4/c20-13-5-3-1-2-4-6-14-25-17(23)11-8-12-18(24)26-16-10-7-9-15(21)19(16)22/h7,9-10H,1-6,8,11-14H2 |
| InChIKey | YMDOBJNWMYJWQB-UHFFFAOYSA-N |
| Molecular Weight | 423.764 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC1=CC=CC(=C1Cl)Cl)=O |