| SpectraBase Compound ID | 709xblNmv24 |
|---|---|
| InChI | InChI=1S/C11H24/c1-6-10(4)11(5)8-7-9(2)3/h9-11H,6-8H2,1-5H3 |
| InChIKey | VHBZECSWMWWTMQ-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 | FBUyeD4IT9o |
|---|---|
| Name | Octane, 2,5,6-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/c1-6-10(4)11(5)8-7-9(2)3/h9-11H,6-8H2,1-5H3 |
| InChIKey | VHBZECSWMWWTMQ-UHFFFAOYSA-N |
| Molecular Weight | 156.313 g/mol |
| SMILES | C(C(C(CC)C)C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88335 |