| SpectraBase Compound ID | KllAkBeJrQC |
|---|---|
| InChI | InChI=1S/C10H17Cl3O2/c1-3-4-5-6-7-8(2)15-9(14)10(11,12)13/h8H,3-7H2,1-2H3 |
| InChIKey | WGQUKMRYNSNTSB-UHFFFAOYSA-N |
| Mol Weight | 275.6 g/mol |
| Molecular Formula | C10H17Cl3O2 |
| Exact Mass | 274.029413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HiMbEug9ZmB |
|---|---|
| Name | Trichloroacetic acid, 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.029412885 u |
| Formula | C10H17Cl3O2 |
| InChI | InChI=1S/C10H17Cl3O2/c1-3-4-5-6-7-8(2)15-9(14)10(11,12)13/h8H,3-7H2,1-2H3 |
| InChIKey | WGQUKMRYNSNTSB-UHFFFAOYSA-N |
| SMILES | C(Cl)(C(OC(C)CCCCCC)=O)(Cl)Cl |