| SpectraBase Compound ID | Ce2HwH1sot3 |
|---|---|
| InChI | InChI=1S/C11H24/c1-5-11(6-2)9-7-8-10(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | AZXGABNJUBNOHW-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 | 7OCowZWY3if |
|---|---|
| Name | Octane, 6-ethyl-2-methyl- |
| 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/c1-5-11(6-2)9-7-8-10(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | AZXGABNJUBNOHW-UHFFFAOYSA-N |
| Molecular Weight | 156.313 g/mol |
| SMILES | C(C(CC)CC)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907581 |