| SpectraBase Compound ID | 6rd7578oQbe |
|---|---|
| InChI | InChI=1S/C18H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-18(22)23-17-13-15(20)14(19)12-16(17)21/h12-13H,2-11H2,1H3 |
| InChIKey | INYHSDLIZCDXRP-UHFFFAOYSA-N |
| Mol Weight | 379.76 g/mol |
| Molecular Formula | C18H25Cl3O2 |
| Exact Mass | 378.092013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5stMIOjfm92 |
|---|---|
| Name | Dodecanoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.092013143 u |
| Formula | C18H25Cl3O2 |
| InChI | InChI=1S/C18H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-18(22)23-17-13-15(20)14(19)12-16(17)21/h12-13H,2-11H2,1H3 |
| InChIKey | INYHSDLIZCDXRP-UHFFFAOYSA-N |
| Molecular Weight | 379.755 g/mol |
| SMILES | C1(=CC(Cl)=C(C=C1Cl)OC(CCCCCCCCCCC)=O)Cl |