| SpectraBase Compound ID | FGfYvcX703n |
|---|---|
| InChI | InChI=1S/C12H14Cl2O2/c1-3-4-8(2)12(15)16-9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3 |
| InChIKey | VOBRYODGNSVURY-UHFFFAOYSA-N |
| Mol Weight | 261.15 g/mol |
| Molecular Formula | C12H14Cl2O2 |
| Exact Mass | 260.037085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99CC0nZhcal |
|---|---|
| Name | 2-Methylvaleric acid, 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.037085089 u |
| Formula | C12H14Cl2O2 |
| InChI | InChI=1S/C12H14Cl2O2/c1-3-4-8(2)12(15)16-9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3 |
| InChIKey | VOBRYODGNSVURY-UHFFFAOYSA-N |
| Molecular Weight | 261.148 g/mol |
| SMILES | C(C(=O)OC1=CC(=C(C=C1)Cl)Cl)(C)CCC |