| SpectraBase Compound ID | HmID8inMi1J |
|---|---|
| InChI | InChI=1S/C11H11ClO/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-6,13H,1-2H3 |
| InChIKey | RKKBVTMMZKMCHJ-UHFFFAOYSA-N |
| Mol Weight | 194.66 g/mol |
| Molecular Formula | C11H11ClO |
| Exact Mass | 194.049843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sYbceez4Qy |
|---|---|
| Name | 3-(4-Chlorophenyl)-1,1-dimethylprop-2-yn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.049842673 u |
| Formula | C11H11ClO |
| InChI | InChI=1S/C11H11ClO/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-6,13H,1-2H3 |
| InChIKey | RKKBVTMMZKMCHJ-UHFFFAOYSA-N |
| Molecular Weight | 194.661 g/mol |
| SMILES | C(C#CC=1C=CC(=CC1)Cl)(O)(C)C |