| SpectraBase Compound ID | EyaveKSz357 |
|---|---|
| InChI | InChI=1S/C16H21Cl3O3/c1-10(2)7-16(3,4)9-22-15(20)8-21-14-6-12(18)11(17)5-13(14)19/h5-6,10H,7-9H2,1-4H3 |
| InChIKey | GCNLYXVBDIGPOA-UHFFFAOYSA-N |
| Mol Weight | 367.7 g/mol |
| Molecular Formula | C16H21Cl3O3 |
| Exact Mass | 366.055628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hc85FraCka2 |
|---|---|
| Name | 2,2,4-Trimethylpentyl 2,4,5-trichlorophenoxyacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.055627633 u |
| Formula | C16H21Cl3O3 |
| InChI | InChI=1S/C16H21Cl3O3/c1-10(2)7-16(3,4)9-22-15(20)8-21-14-6-12(18)11(17)5-13(14)19/h5-6,10H,7-9H2,1-4H3 |
| InChIKey | GCNLYXVBDIGPOA-UHFFFAOYSA-N |
| Molecular Weight | 367.700 g/mol |
| SMILES | C1=C(C(Cl)=CC(=C1Cl)Cl)OCC(=O)OCC(CC(C)C)(C)C |