| SpectraBase Compound ID | 2fgy9RdVtXQ |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h4-8,12H,3H2,1-2H3/b5-4+ |
| InChIKey | FJBDWWLIBKKDDT-SNAWJCMRSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4hS50c3IEY2 |
|---|---|
| Name | (E)-4-(but-1-en-1-yl)Guaiacol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h4-8,12H,3H2,1-2H3/b5-4+ |
| InChIKey | FJBDWWLIBKKDDT-SNAWJCMRSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1(=C(C=C(C=C1)\C=C\CC)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962423 |