| SpectraBase Compound ID | 12FB6soqogG |
|---|---|
| InChI | InChI=1S/C12H14/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-6,8-9H,10H2,1-2H3 |
| InChIKey | LQEWBMUGVVQIHH-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7JpT9994TYD |
|---|---|
| Name | 1,1-Dimethyl-4-phenyl-1,2-butadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-6,8-9H,10H2,1-2H3 |
| InChIKey | LQEWBMUGVVQIHH-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C(=C=CCC=1C=CC=CC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921184 |