| SpectraBase Compound ID | 7N5LGzTmuLD |
|---|---|
| InChI | InChI=1S/C18H23Cl3O4/c1-2-3-4-5-6-10-24-17(22)8-7-9-18(23)25-16-12-14(20)13(19)11-15(16)21/h11-12H,2-10H2,1H3 |
| InChIKey | OPQNWMVXXSUETP-UHFFFAOYSA-N |
| Mol Weight | 409.74 g/mol |
| Molecular Formula | C18H23Cl3O4 |
| Exact Mass | 408.066192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVVxa3KkQBf |
|---|---|
| Name | Glutaric acid, heptyl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.066192317 u |
| Formula | C18H23Cl3O4 |
| InChI | InChI=1S/C18H23Cl3O4/c1-2-3-4-5-6-10-24-17(22)8-7-9-18(23)25-16-12-14(20)13(19)11-15(16)21/h11-12H,2-10H2,1H3 |
| InChIKey | OPQNWMVXXSUETP-UHFFFAOYSA-N |
| Molecular Weight | 409.737 g/mol |
| SMILES | CCCCCCCOC(CCCC(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)=O |