| SpectraBase Compound ID | LCZk0iAnt5p |
|---|---|
| InChI | InChI=1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | AQTYNINXYJFSHD-AATRIKPKSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dv0n9jNH0KD |
|---|---|
| Name | Trans-1-ethoxy-1-butene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.088815005 u |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | AQTYNINXYJFSHD-AATRIKPKSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | CC\C=C\OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922803 |