| SpectraBase Compound ID | FwSwEmug1br |
|---|---|
| InChI | InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+ |
| InChIKey | RAPHJZMCZKGDSB-XBXARRHUSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6soNV45zZ4H |
|---|---|
| Name | Hexanal, 2-ethylidene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+ |
| InChIKey | RAPHJZMCZKGDSB-XBXARRHUSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C\C=C\(C=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980814 |