| SpectraBase Compound ID | 9c5pn48Kxh5 |
|---|---|
| InChI | InChI=1S/C11H11ClO3/c1-7(13)8(2)15-11(14)9-4-3-5-10(12)6-9/h3-6,8H,1-2H3 |
| InChIKey | YXSJHBJFQZIWCD-UHFFFAOYSA-N |
| Mol Weight | 226.66 g/mol |
| Molecular Formula | C11H11ClO3 |
| Exact Mass | 226.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DjFVGZS9KPo |
|---|---|
| Name | 3-Oxobutan-2-yl 3-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.039671911 u |
| Formula | C11H11ClO3 |
| InChI | InChI=1S/C11H11ClO3/c1-7(13)8(2)15-11(14)9-4-3-5-10(12)6-9/h3-6,8H,1-2H3 |
| InChIKey | YXSJHBJFQZIWCD-UHFFFAOYSA-N |
| Molecular Weight | 226.659 g/mol |
| SMILES | CC(OC(=O)C1=CC(=CC=C1)Cl)C(=O)C |