| SpectraBase Compound ID | Frlj4cxeCGu |
|---|---|
| InChI | InChI=1S/C13H18/c1-11-7-5-6-8-12(11)9-10-13(2,3)4/h5-10H,1-4H3/b10-9- |
| InChIKey | SLXXLSVACBVNDV-KTKRTIGZSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fmp79kKTUMa |
|---|---|
| Name | 3,3-Dimethyl-1-(2-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/c1-11-7-5-6-8-12(11)9-10-13(2,3)4/h5-10H,1-4H3/b10-9- |
| InChIKey | SLXXLSVACBVNDV-KTKRTIGZSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1=CC=CC(\C=C/C(C)(C)C)=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900256 |