| SpectraBase Compound ID | Jn2HeFrKRUe |
|---|---|
| InChI | InChI=1S/C16H19Cl3O4/c1-2-3-4-10-22-13(20)6-5-7-14(21)23-16-12(18)9-8-11(17)15(16)19/h8-9H,2-7,10H2,1H3 |
| InChIKey | HYXHOAXKWUZPNN-UHFFFAOYSA-N |
| Mol Weight | 381.68 g/mol |
| Molecular Formula | C16H19Cl3O4 |
| Exact Mass | 380.034892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XddrjqcLYB |
|---|---|
| Name | Glutaric acid, pentyl 2,3,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.034892188 u |
| Formula | C16H19Cl3O4 |
| InChI | InChI=1S/C16H19Cl3O4/c1-2-3-4-10-22-13(20)6-5-7-14(21)23-16-12(18)9-8-11(17)15(16)19/h8-9H,2-7,10H2,1H3 |
| InChIKey | HYXHOAXKWUZPNN-UHFFFAOYSA-N |
| Molecular Weight | 381.683 g/mol |
| SMILES | CCCCCOC(CCCC(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)=O |