| SpectraBase Compound ID | Kw591H8ZSNx |
|---|---|
| InChI | InChI=1S/C14H30/c1-7-13(8-2,9-3)14(10-4,11-5)12-6/h7-12H2,1-6H3 |
| InChIKey | PGZWQYVRUOIRTH-UHFFFAOYSA-N |
| Mol Weight | 198.39 g/mol |
| Molecular Formula | C14H30 |
| Exact Mass | 198.234751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LoqKS822Tj5 |
|---|---|
| Name | 3,3,4,4-Tetraethylhexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.234750966 u |
| Formula | C14H30 |
| InChI | InChI=1S/C14H30/c1-7-13(8-2,9-3)14(10-4,11-5)12-6/h7-12H2,1-6H3 |
| InChIKey | PGZWQYVRUOIRTH-UHFFFAOYSA-N |
| Molecular Weight | 198.394 g/mol |
| SMILES | C(C(CC)(CC)CC)(CC)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932567 |