| SpectraBase Compound ID | QypbyU9bl6 |
|---|---|
| InChI | InChI=1S/C12H24/c1-4-10(2)11(3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3 |
| InChIKey | KRDFMOZMKWQTEB-UHFFFAOYSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6wh5NNj28es |
|---|---|
| Name | Cyclohexane, (1,2-dimethylbutyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-4-10(2)11(3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3 |
| InChIKey | KRDFMOZMKWQTEB-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C(C(C)C1CCCCC1)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917294 |