| SpectraBase Compound ID | 9d5OpRIxyyZ |
|---|---|
| InChI | InChI=1S/C12H16O/c1-4-12(2,3)11(13)10-8-6-5-7-9-10/h4-9,11,13H,1H2,2-3H3 |
| InChIKey | AVEKNYDISPNLMR-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LCTy38HlJv5 |
|---|---|
| Name | 2,2-Dimethyl-1-phenylbut-3-en-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-4-12(2,3)11(13)10-8-6-5-7-9-10/h4-9,11,13H,1H2,2-3H3 |
| InChIKey | AVEKNYDISPNLMR-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(C(C)(C)C=C)(C=1C=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964039 |