| SpectraBase Compound ID | 3FHyH4sWP3k |
|---|---|
| InChI | InChI=1S/C11H13FO/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3 |
| InChIKey | CXTVFSXNBCDVAY-UHFFFAOYSA-N |
| Mol Weight | 180.22 g/mol |
| Molecular Formula | C11H13FO |
| Exact Mass | 180.095043 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GmkSvyx7v3n |
|---|---|
| Name | 4-Fluoranyl-2-(3-methylbut-2-enyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.095043201 u |
| Formula | C11H13FO |
| InChI | InChI=1S/C11H13FO/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3 |
| InChIKey | CXTVFSXNBCDVAY-UHFFFAOYSA-N |
| Molecular Weight | 180.222 g/mol |
| SMILES | C=1(C(=CC=C(C1)F)O)CC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824579 |