| SpectraBase Compound ID | CBmsSYCC1ka |
|---|---|
| InChI | InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | DUPUVYJQZSLSJB-UHFFFAOYSA-N |
| Mol Weight | 114.23 g/mol |
| Molecular Formula | C8H18 |
| Exact Mass | 114.140851 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | F5YYenMksAg |
|---|---|
| Name | 3-Ethyl-2-methylpentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.140850580 u |
| Formula | C8H18 |
| InChI | InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | DUPUVYJQZSLSJB-UHFFFAOYSA-N |
| Molecular Weight | 114.232 g/mol |
| SMILES | CCC(C(C)C)CC |
| Spectrum/Structure Validation Score (Raman) | 0.986533 |