| SpectraBase Compound ID | G6gtAcUCvoh |
|---|---|
| InChI | InChI=1S/C12H26/c1-9(2)11(5,6)12(7,8)10(3)4/h9-10H,1-8H3 |
| InChIKey | GRVNDHRZJGSRDC-UHFFFAOYSA-N |
| Mol Weight | 170.34 g/mol |
| Molecular Formula | C12H26 |
| Exact Mass | 170.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FXyRfWjz2sa |
|---|---|
| Name | 2,3,3,4,4,5-Hexamethylhexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.203450837 u |
| Formula | C12H26 |
| InChI | InChI=1S/C12H26/c1-9(2)11(5,6)12(7,8)10(3)4/h9-10H,1-8H3 |
| InChIKey | GRVNDHRZJGSRDC-UHFFFAOYSA-N |
| Molecular Weight | 170.340 g/mol |
| SMILES | C(C)(C)C(C)(C(C(C)C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958355 |