| SpectraBase Compound ID | 7i9HAAwTLYm |
|---|---|
| InChI | InChI=1S/C18H24Cl4O2/c1-2-3-4-5-6-7-8-9-10-11-15(23)24-18-14(20)12-13(19)16(21)17(18)22/h12H,2-11H2,1H3 |
| InChIKey | AKCVHXIPDUOGKY-UHFFFAOYSA-N |
| Mol Weight | 414.2 g/mol |
| Molecular Formula | C18H24Cl4O2 |
| Exact Mass | 412.053041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RvnZFmL64g |
|---|---|
| Name | Dodecanoic acid, 2,3,4,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.053040811 u |
| Formula | C18H24Cl4O2 |
| InChI | InChI=1S/C18H24Cl4O2/c1-2-3-4-5-6-7-8-9-10-11-15(23)24-18-14(20)12-13(19)16(21)17(18)22/h12H,2-11H2,1H3 |
| InChIKey | AKCVHXIPDUOGKY-UHFFFAOYSA-N |
| Molecular Weight | 414.200 g/mol |
| SMILES | C1(=C(C(Cl)=C(C(=C1)Cl)OC(CCCCCCCCCCC)=O)Cl)Cl |