| SpectraBase Compound ID | LmKQW3hN0xz |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-2-7-21-14(19)5-3-4-6-15(20)22-13-9-11(17)10(16)8-12(13)18/h8-9H,2-7H2,1H3 |
| InChIKey | YRDGPDAYFGMGLF-UHFFFAOYSA-N |
| Mol Weight | 367.66 g/mol |
| Molecular Formula | C15H17Cl3O4 |
| Exact Mass | 366.019242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uOYnYlp6yw |
|---|---|
| Name | Adipic acid, propyl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.019242123 u |
| Formula | C15H17Cl3O4 |
| InChI | InChI=1S/C15H17Cl3O4/c1-2-7-21-14(19)5-3-4-6-15(20)22-13-9-11(17)10(16)8-12(13)18/h8-9H,2-7H2,1H3 |
| InChIKey | YRDGPDAYFGMGLF-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | C(CCC(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)CC(OCCC)=O |