| SpectraBase Compound ID | 4x4TS4dqraS |
|---|---|
| InChI | InChI=1S/C12H24/c1-10(2)8-7-9-11(3,4)12(10,5)6/h7-9H2,1-6H3 |
| InChIKey | OKDCYQXBGGJTCU-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 | KGJHeG7NcmA |
|---|---|
| Name | Hexamethylcyclohexane |
| 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/c1-10(2)8-7-9-11(3,4)12(10,5)6/h7-9H2,1-6H3 |
| InChIKey | OKDCYQXBGGJTCU-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C1(C(CCCC1(C)C)(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939079 |