| SpectraBase Compound ID | KWKmO7BEyzQ |
|---|---|
| InChI | InChI=1S/C10H9Cl3O2/c1-7-2-4-8(5-3-7)9(14)15-6-10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | NSEMXPHSOPXKLU-UHFFFAOYSA-N |
| Mol Weight | 267.54 g/mol |
| Molecular Formula | C10H9Cl3O2 |
| Exact Mass | 265.966813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VDDat2VJV2 |
|---|---|
| Name | 4-Methylbenzoic acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.966812628 u |
| Formula | C10H9Cl3O2 |
| InChI | InChI=1S/C10H9Cl3O2/c1-7-2-4-8(5-3-7)9(14)15-6-10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | NSEMXPHSOPXKLU-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C)C(=O)OCC(Cl)(Cl)Cl |