| SpectraBase Compound ID | AWzAZQbGFgc |
|---|---|
| InChI | InChI=1S/C12H24/c1-9(2)5-12-7-10(3)6-11(4)8-12/h9-12H,5-8H2,1-4H3 |
| InChIKey | YNATWYUUKWQWEL-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 | HSCoDsLlBcm |
|---|---|
| Name | 1,3-Dimethyl-5-isobutylcyclohexane |
| 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/c1-9(2)5-12-7-10(3)6-11(4)8-12/h9-12H,5-8H2,1-4H3 |
| InChIKey | YNATWYUUKWQWEL-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C1(CC(CC(C1)CC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938452 |