| SpectraBase Compound ID | 5xIS1Gpougv |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-8-5-6-10(4-3-7-12)11(13)9(8)2/h5-6,12-13H,3-4,7H2,1-2H3 |
| InChIKey | XOZQOLOOBFRZAD-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IFKksFY9cSA |
|---|---|
| Name | 3-Phenpropanol, 2'-hydroxy-3',4'-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-8-5-6-10(4-3-7-12)11(13)9(8)2/h5-6,12-13H,3-4,7H2,1-2H3 |
| InChIKey | XOZQOLOOBFRZAD-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1=C(C(=C(C(=C1)C)C)O)CCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939236 |