| SpectraBase Compound ID | JnmDSi9f0s4 |
|---|---|
| InChI | InChI=1S/C15H16Cl4O4/c1-8(2)7-22-11(20)4-3-5-12(21)23-15-13(18)9(16)6-10(17)14(15)19/h6,8H,3-5,7H2,1-2H3 |
| InChIKey | DCZJKKXXRFMGME-UHFFFAOYSA-N |
| Mol Weight | 402.1 g/mol |
| Molecular Formula | C15H16Cl4O4 |
| Exact Mass | 399.98027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPuiu6Ch3eq |
|---|---|
| Name | Glutaric acid, isobutyl 2,3,5,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.980269791 u |
| Formula | C15H16Cl4O4 |
| InChI | InChI=1S/C15H16Cl4O4/c1-8(2)7-22-11(20)4-3-5-12(21)23-15-13(18)9(16)6-10(17)14(15)19/h6,8H,3-5,7H2,1-2H3 |
| InChIKey | DCZJKKXXRFMGME-UHFFFAOYSA-N |
| Molecular Weight | 402.101 g/mol |
| SMILES | CC(C)COC(CCCC(OC1=C(C(=CC(=C1Cl)Cl)Cl)Cl)=O)=O |