| SpectraBase Compound ID | F4K5W3RzgN2 |
|---|---|
| InChI | InChI=1S/C13H18/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,6-8,10-12H,2-3,5,9H2,1H3 |
| InChIKey | OPUGBQJXZGRRKY-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 | Fh8C0klsjGv |
|---|---|
| Name | (1-Butyl-2-propenyl)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/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,6-8,10-12H,2-3,5,9H2,1H3 |
| InChIKey | OPUGBQJXZGRRKY-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C=CC(CCCC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978466 |