| SpectraBase Compound ID | 2jeowZe41Fd |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-3-10(4-2)21-13(19)5-6-14(20)22-15-11(17)7-9(16)8-12(15)18/h7-8,10H,3-6H2,1-2H3 |
| InChIKey | ZKFVMWMARXUFBJ-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 | 2aIoJxswWx1 |
|---|---|
| Name | Succinic acid, 2,4,6-trichlorophenyl 3-pentyl 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/c1-3-10(4-2)21-13(19)5-6-14(20)22-15-11(17)7-9(16)8-12(15)18/h7-8,10H,3-6H2,1-2H3 |
| InChIKey | ZKFVMWMARXUFBJ-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | C1(=CC(Cl)=C(C(=C1)Cl)OC(=O)CCC(OC(CC)CC)=O)Cl |