| SpectraBase Compound ID | J95d1JKhHZ4 |
|---|---|
| InChI | InChI=1S/C16H21Cl3O3/c1-3-5-6-11(4-2)9-22-16(20)10-21-15-8-13(18)12(17)7-14(15)19/h7-8,11H,3-6,9-10H2,1-2H3 |
| InChIKey | MNELUOHPQMJXGU-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 | CCcB9K4WSxF |
|---|---|
| Name | 2,4,5-Trichlorophenoxyacetic acid, 2-ethylhexyl ester |
| 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/c1-3-5-6-11(4-2)9-22-16(20)10-21-15-8-13(18)12(17)7-14(15)19/h7-8,11H,3-6,9-10H2,1-2H3 |
| InChIKey | MNELUOHPQMJXGU-UHFFFAOYSA-N |
| Molecular Weight | 367.700 g/mol |
| SMILES | C1(=CC(=C(C=C1Cl)OCC(OCC(CC)CCCC)=O)Cl)Cl |