| SpectraBase Compound ID | 1THjV1F6YOg |
|---|---|
| InChI | InChI=1S/C10H9ClO2/c1-2-9(12)7-13-10-5-3-4-8(11)6-10/h1,3-6,9,12H,7H2 |
| InChIKey | CEZMXOXWZYDVOU-UHFFFAOYSA-N |
| Mol Weight | 196.63 g/mol |
| Molecular Formula | C10H9ClO2 |
| Exact Mass | 196.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | PfnwY39OWf |
|---|---|
| Name | 1-(3-Chlorophenoxy)-3-butyn-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.029107228 u |
| Formula | C10H9ClO2 |
| InChI | InChI=1S/C10H9ClO2/c1-2-9(12)7-13-10-5-3-4-8(11)6-10/h1,3-6,9,12H,7H2 |
| InChIKey | CEZMXOXWZYDVOU-UHFFFAOYSA-N |
| Molecular Weight | 196.633 g/mol |
| SMILES | OC(COC1=CC=CC(=C1)Cl)C#C |
| Spectrum/Structure Validation Score (Raman) | 0.978472 |