| SpectraBase Compound ID | AITEV18IWO5 |
|---|---|
| InChI | InChI=1S/C13H18/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h5,8-9H,1,6-7H2,2-4H3 |
| InChIKey | CATRIGMFGLIVJQ-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 | 45V79r21ABq |
|---|---|
| Name | 2-(but-3-Enyl)-1,3,5-trimethylbenzene |
| 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/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h5,8-9H,1,6-7H2,2-4H3 |
| InChIKey | CATRIGMFGLIVJQ-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C(=C)CCC=1C(=CC(=CC1C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948767 |