| SpectraBase Compound ID | Ijodn6LejOY |
|---|---|
| InChI | InChI=1S/C13H20/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3 |
| InChIKey | QXZANYPVYZTYBN-UHFFFAOYSA-N |
| Mol Weight | 176.3 g/mol |
| Molecular Formula | C13H20 |
| Exact Mass | 176.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LeoouWME3I3 |
|---|---|
| Name | (1-Ethylpentyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.156500644 u |
| Formula | C13H20 |
| InChI | InChI=1S/C13H20/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3 |
| InChIKey | QXZANYPVYZTYBN-UHFFFAOYSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | CCCCC(CC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963165 |