| SpectraBase Compound ID | DUAzLReQs0t |
|---|---|
| InChI | InChI=1S/C12H18/c1-4-10(2)9-12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | XPCLINDRYZAPTJ-UHFFFAOYSA-N |
| Mol Weight | 162.28 g/mol |
| Molecular Formula | C12H18 |
| Exact Mass | 162.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E4M7wq6Yr3u |
|---|---|
| Name | 1-Methyl-4-(2-methylbutyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.140850580 u |
| Formula | C12H18 |
| InChI | InChI=1S/C12H18/c1-4-10(2)9-12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | XPCLINDRYZAPTJ-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | C1(CC(CC)C)=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903581 |