| SpectraBase Compound ID | Bejf6eoQd1N |
|---|---|
| InChI | InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3 |
| InChIKey | LGYNIFWIKSEESD-UHFFFAOYSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DK9HKLbkYfj |
|---|---|
| Name | 2-Ethylhexanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3 |
| InChIKey | LGYNIFWIKSEESD-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | CCC(CCCC)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.981842 |