| SpectraBase Compound ID | LE97KgI1X8u |
|---|---|
| InChI | InChI=1S/C11H11ClO3/c1-14-10-6-3-2-5-9(10)11(13)15-8-4-7-12/h2-7H,8H2,1H3/b7-4+ |
| InChIKey | WBWAKPXHPTXRTF-QPJJXVBHSA-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 | Ft62NXHIRMV |
|---|---|
| Name | o-Anisic acid, 3-chloroprop-2-enyl ester |
| 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/c1-14-10-6-3-2-5-9(10)11(13)15-8-4-7-12/h2-7H,8H2,1H3/b7-4+ |
| InChIKey | WBWAKPXHPTXRTF-QPJJXVBHSA-N |
| Molecular Weight | 226.659 g/mol |
| SMILES | C(=O)(OC\C=C\Cl)C=1C(OC)=CC=CC1 |