| SpectraBase Compound ID | 7s1kW1fVTXh |
|---|---|
| InChI | InChI=1S/C16H19Cl3O4/c1-3-5-10(2)22-14(20)6-4-7-15(21)23-16-12(18)8-11(17)9-13(16)19/h8-10H,3-7H2,1-2H3 |
| InChIKey | XKUKCFAPVBWWQW-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 | lt9MSQemf5 |
|---|---|
| Name | Glutaric acid, 2,4,6-trichlorophenyl 2-pentyl 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/c1-3-5-10(2)22-14(20)6-4-7-15(21)23-16-12(18)8-11(17)9-13(16)19/h8-10H,3-7H2,1-2H3 |
| InChIKey | XKUKCFAPVBWWQW-UHFFFAOYSA-N |
| Molecular Weight | 381.683 g/mol |
| SMILES | C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC(C)CCC)=O |