| SpectraBase Compound ID | AiHRVgf1hUp |
|---|---|
| InChI | InChI=1S/C18H23Cl3O4/c1-3-4-5-6-7-12(2)24-16(22)8-9-17(23)25-18-14(20)10-13(19)11-15(18)21/h10-12H,3-9H2,1-2H3 |
| InChIKey | AJZFQCVVLWZNAH-UHFFFAOYSA-N |
| Mol Weight | 409.74 g/mol |
| Molecular Formula | C18H23Cl3O4 |
| Exact Mass | 408.066192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JVfptQdBDE |
|---|---|
| Name | Succinic acid, 2-octyl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.066192317 u |
| Formula | C18H23Cl3O4 |
| InChI | InChI=1S/C18H23Cl3O4/c1-3-4-5-6-7-12(2)24-16(22)8-9-17(23)25-18-14(20)10-13(19)11-15(18)21/h10-12H,3-9H2,1-2H3 |
| InChIKey | AJZFQCVVLWZNAH-UHFFFAOYSA-N |
| Molecular Weight | 409.737 g/mol |
| SMILES | C1(=CC(Cl)=C(C(=C1)Cl)OC(=O)CCC(OC(CCCCCC)C)=O)Cl |