| SpectraBase Compound ID | xHtzL0B9Yq |
|---|---|
| InChI | InChI=1S/C12H18/c1-4-5-9-12-10(2)7-6-8-11(12)3/h6-8H,4-5,9H2,1-3H3 |
| InChIKey | UDKAJPALXFAKKO-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 | Cwn0JIlAg5B |
|---|---|
| Name | 1-(2',6'-Dimethylpheny1)-butane |
| 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/c1-4-5-9-12-10(2)7-6-8-11(12)3/h6-8H,4-5,9H2,1-3H3 |
| InChIKey | UDKAJPALXFAKKO-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | C1(=CC=CC(=C1CCCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948509 |