| SpectraBase Compound ID | Gcdbtq2IJH0 |
|---|---|
| InChI | InChI=1S/C13H16Cl2O2/c1-8-5-6-9(13(2,3)4)10(7-8)17-12(16)11(14)15/h5-7,11H,1-4H3 |
| InChIKey | VVWKDKZMJVXXQN-UHFFFAOYSA-N |
| Mol Weight | 275.18 g/mol |
| Molecular Formula | C13H16Cl2O2 |
| Exact Mass | 274.052735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nJgvFdpTmv |
|---|---|
| Name | 2-Tert-butyl-5-methylphenyl dichloroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.052735153 u |
| Formula | C13H16Cl2O2 |
| InChI | InChI=1S/C13H16Cl2O2/c1-8-5-6-9(13(2,3)4)10(7-8)17-12(16)11(14)15/h5-7,11H,1-4H3 |
| InChIKey | VVWKDKZMJVXXQN-UHFFFAOYSA-N |
| SMILES | C=1(OC(C(Cl)Cl)=O)C(=CC=C(C1)C)C(C)(C)C |