| SpectraBase Compound ID | G8y3fiKQXUU |
|---|---|
| InChI | InChI=1S/C13H28/c1-5-9-11-13(10-6-2)12(7-3)8-4/h12-13H,5-11H2,1-4H3 |
| InChIKey | XBDFXYBPENMWPB-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 | JrPC1yqQ0Wa |
|---|---|
| Name | 3-Ethyl-4-propyl-octane |
| 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/c1-5-9-11-13(10-6-2)12(7-3)8-4/h12-13H,5-11H2,1-4H3 |
| InChIKey | XBDFXYBPENMWPB-UHFFFAOYSA-N |
| Molecular Weight | 184.367 g/mol |
| SMILES | CCCCC(C(CC)CC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925219 |