| SpectraBase Compound ID | CgiyC8K1PUq |
|---|---|
| InChI | InChI=1S/C17H17ClO2/c1-12(2)17(19)20-16-9-8-15(18)11-14(16)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3 |
| InChIKey | MOZKVKZNJVHPQC-UHFFFAOYSA-N |
| Mol Weight | 288.77 g/mol |
| Molecular Formula | C17H17ClO2 |
| Exact Mass | 288.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOQLG2VXN5L |
|---|---|
| Name | Clorofene, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.091707485 u |
| Formula | C17H17ClO2 |
| InChI | InChI=1S/C17H17ClO2/c1-12(2)17(19)20-16-9-8-15(18)11-14(16)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3 |
| InChIKey | MOZKVKZNJVHPQC-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC(=C(C=C1)OC(C(C)C)=O)CC1=CC=CC=C1 |