| SpectraBase Compound ID | EHtWDew2OUc |
|---|---|
| InChI | InChI=1S/C13H18/c1-4-6-11(3)13-9-7-12(5-2)8-10-13/h5,7-11H,2,4,6H2,1,3H3 |
| InChIKey | FYFPBRWGLVCSRT-UHFFFAOYSA-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 | 4v6moDDdwiR |
|---|---|
| Name | 1-(1-Methylbutyl)-4-vinyl-benzene |
| 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/c1-4-6-11(3)13-9-7-12(5-2)8-10-13/h5,7-11H,2,4,6H2,1,3H3 |
| InChIKey | FYFPBRWGLVCSRT-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1(=CC=C(C=C)C=C1)C(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954562 |