| SpectraBase Compound ID | 3fKvUGcsCWB |
|---|---|
| InChI | InChI=1S/C10H9ClO/c1-2-5-10(12)8-6-3-4-7-9(8)11/h1,3-4,6-7,10,12H,5H2 |
| InChIKey | YBTBDCBYUSRNOY-UHFFFAOYSA-N |
| Mol Weight | 180.63 g/mol |
| Molecular Formula | C10H9ClO |
| Exact Mass | 180.034193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTYkbhhX0WL |
|---|---|
| Name | 1-(2-Chlorophenyl)but-3-yn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.034192609 u |
| Formula | C10H9ClO |
| InChI | InChI=1S/C10H9ClO/c1-2-5-10(12)8-6-3-4-7-9(8)11/h1,3-4,6-7,10,12H,5H2 |
| InChIKey | YBTBDCBYUSRNOY-UHFFFAOYSA-N |
| SMILES | C(CC#C)(O)C=1C(=CC=CC1)Cl |