| SpectraBase Compound ID | LP46ysmkXSF |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-4-11(3,13)9-7-8(2)5-6-10(9)12/h4-7,12-13H,1H2,2-3H3 |
| InChIKey | MNSXLOVMDHYUAX-UHFFFAOYSA-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 | LE6XJfDyL4k |
|---|---|
| Name | 2-(2'-Hydroxy-5'-methylphenyl)but-3-en-2-ol |
| 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/c1-4-11(3,13)9-7-8(2)5-6-10(9)12/h4-7,12-13H,1H2,2-3H3 |
| InChIKey | MNSXLOVMDHYUAX-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C=1(C(C=C)(O)C)C(=CC=C(C1)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926417 |