| SpectraBase Compound ID | 6F2tnPZlh6X |
|---|---|
| InChI | InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3 |
| InChIKey | XJKKSYAVEVAGFX-UHFFFAOYSA-N |
| Mol Weight | 156.31 g/mol |
| Molecular Formula | C11H24 |
| Exact Mass | 156.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lm6D9JnQzBP |
|---|---|
| Name | Octane, 2,3,7-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.187800773 u |
| Formula | C11H24 |
| InChI | InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3 |
| InChIKey | XJKKSYAVEVAGFX-UHFFFAOYSA-N |
| Molecular Weight | 156.313 g/mol |
| SMILES | C(C(C(C)C)C)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95141 |