| SpectraBase Compound ID | L8vPc7A2nC5 |
|---|---|
| InChI | InChI=1S/C13H18/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h5,7-10H,1,6H2,2-4H3 |
| InChIKey | ZCCJDSYKFPGANQ-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 | BIUVqEgROZX |
|---|---|
| Name | 1-Tert-butyl-4-(prop-2-en-1-yl)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/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h5,7-10H,1,6H2,2-4H3 |
| InChIKey | ZCCJDSYKFPGANQ-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1(=CC=C(C=C1)CC=C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964403 |