| SpectraBase Compound ID | 3P9qYQulcrE |
|---|---|
| InChI | InChI=1S/C16H17Cl3O4/c17-10-8-12(18)16(13(19)9-10)23-15(21)7-3-6-14(20)22-11-4-1-2-5-11/h8-9,11H,1-7H2 |
| InChIKey | YFJYWQFLHUQBRA-UHFFFAOYSA-N |
| Mol Weight | 379.67 g/mol |
| Molecular Formula | C16H17Cl3O4 |
| Exact Mass | 378.019242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGsECtfXwfR |
|---|---|
| Name | Glutaric acid, cyclopentyl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.019242123 u |
| Formula | C16H17Cl3O4 |
| InChI | InChI=1S/C16H17Cl3O4/c17-10-8-12(18)16(13(19)9-10)23-15(21)7-3-6-14(20)22-11-4-1-2-5-11/h8-9,11H,1-7H2 |
| InChIKey | YFJYWQFLHUQBRA-UHFFFAOYSA-N |
| Molecular Weight | 379.667 g/mol |
| SMILES | C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC1CCCC1)=O |