| SpectraBase Compound ID | 2h2UAJ4eAan |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-2-7-21-13(19)5-3-4-6-14(20)22-10-8-11(16)15(18)12(17)9-10/h8-9H,2-7H2,1H3 |
| InChIKey | PNPBBANVMWOHJL-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 | 5vNEvMQbFNG |
|---|---|
| Name | Adipic acid, propyl 3,4,5-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/c1-2-7-21-13(19)5-3-4-6-14(20)22-10-8-11(16)15(18)12(17)9-10/h8-9H,2-7H2,1H3 |
| InChIKey | PNPBBANVMWOHJL-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | C(CCC(OC1=CC(=C(C(=C1)Cl)Cl)Cl)=O)CC(OCCC)=O |