| SpectraBase Compound ID | 6IIFIEPTLLA |
|---|---|
| InChI | InChI=1S/C13H28/c1-10(9-12(3,4)5)11(2)13(6,7)8/h10-11H,9H2,1-8H3 |
| InChIKey | UOQQMBRMFRZOPK-UHFFFAOYSA-N |
| Mol Weight | 184.37 g/mol |
| Molecular Formula | C13H28 |
| Exact Mass | 184.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bd1qPYt2cFM |
|---|---|
| Name | Heptane, 2,2,3,4,6,6-hexamethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.219100902 u |
| Formula | C13H28 |
| InChI | InChI=1S/C13H28/c1-10(9-12(3,4)5)11(2)13(6,7)8/h10-11H,9H2,1-8H3 |
| InChIKey | UOQQMBRMFRZOPK-UHFFFAOYSA-N |
| Molecular Weight | 184.367 g/mol |
| SMILES | CC(C)(C)C(C)C(C)CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946113 |