| SpectraBase Compound ID | 3ttOxIGuogU |
|---|---|
| InChI | InChI=1S/C13H18/c1-5-13(3,4)10-12-8-6-11(2)7-9-12/h5-9H,1,10H2,2-4H3 |
| InChIKey | YULMWRZENMBKCP-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IWu0K281xTl |
|---|---|
| Name | 3,3-Dimethyl-4-(4-methylphenyl)1-butene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-5-13(3,4)10-12-8-6-11(2)7-9-12/h5-9H,1,10H2,2-4H3 |
| InChIKey | YULMWRZENMBKCP-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1=C(C=CC(=C1)C)CC(C=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967373 |