| SpectraBase Compound ID | KTXomnSp6vp |
|---|---|
| InChI | InChI=1S/C10H11FO/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-5,12H,1,6-7H2 |
| InChIKey | AHKGFPITGBMSJV-UHFFFAOYSA-N |
| Mol Weight | 166.2 g/mol |
| Molecular Formula | C10H11FO |
| Exact Mass | 166.079393 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DltRa2DLxKR |
|---|---|
| Name | 3-Buten-1-ol, 3-(p-fluorophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.079393136 u |
| Formula | C10H11FO |
| InChI | InChI=1S/C10H11FO/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-5,12H,1,6-7H2 |
| InChIKey | AHKGFPITGBMSJV-UHFFFAOYSA-N |
| Molecular Weight | 166.195 g/mol |
| SMILES | C(C=1C=CC(=CC1)F)(=C)CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949631 |