| SpectraBase Compound ID | Hte7vgjxWou |
|---|---|
| InChI | InChI=1S/C11H13ClO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3 |
| InChIKey | UUZUQJOJASRJBK-UHFFFAOYSA-N |
| Mol Weight | 196.68 g/mol |
| Molecular Formula | C11H13ClO |
| Exact Mass | 196.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 65qnz4phhlZ |
|---|---|
| Name | 1-(4-Chlorophenyl)-2-methylbut-3-en-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.065492738 u |
| Formula | C11H13ClO |
| InChI | InChI=1S/C11H13ClO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3 |
| InChIKey | UUZUQJOJASRJBK-UHFFFAOYSA-N |
| Molecular Weight | 196.677 g/mol |
| SMILES | C1=CC(=CC=C1Cl)C(C(C=C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943886 |