| SpectraBase Compound ID | Az8eM02y6wi |
|---|---|
| InChI | InChI=1S/C11H9ClO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-5,10,13H,1H3 |
| InChIKey | RCCGLZJJCRLUFU-UHFFFAOYSA-N |
| Mol Weight | 224.64 g/mol |
| Molecular Formula | C11H9ClO3 |
| Exact Mass | 224.024022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2pEfTwDzfGC |
|---|---|
| Name | Methyl 4-(4-chlorophenyl)-4-hydroxybut-2-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.024021847 u |
| Formula | C11H9ClO3 |
| InChI | InChI=1S/C11H9ClO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-5,10,13H,1H3 |
| InChIKey | RCCGLZJJCRLUFU-UHFFFAOYSA-N |
| Molecular Weight | 224.643 g/mol |
| SMILES | C(C#CC(O)C=1C=CC(=CC1)Cl)(=O)OC |