| SpectraBase Compound ID | 8DAFa0nq9X1 |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-3-4-9(2)12(14)15-11-7-5-10(13)6-8-11/h5-9H,3-4H2,1-2H3 |
| InChIKey | MFIJGYJNWLCUDX-UHFFFAOYSA-N |
| Mol Weight | 226.7 g/mol |
| Molecular Formula | C12H15ClO2 |
| Exact Mass | 226.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDtmhMZz3DA |
|---|---|
| Name | 2-Methylvaleric acid, 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.076057421 u |
| Formula | C12H15ClO2 |
| InChI | InChI=1S/C12H15ClO2/c1-3-4-9(2)12(14)15-11-7-5-10(13)6-8-11/h5-9H,3-4H2,1-2H3 |
| InChIKey | MFIJGYJNWLCUDX-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C(C(C(=O)OC1=CC=C(C=C1)Cl)C)CC |