| SpectraBase Compound ID | CslJNMDf6NR |
|---|---|
| InChI | InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3H,1,4-6H2,2H3 |
| InChIKey | DKQFBUMLBKKLLP-UHFFFAOYSA-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 | JX4pA4dLQYY |
|---|---|
| Name | 1-Butene, 4-ethoxy- |
| 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/h3H,1,4-6H2,2H3 |
| InChIKey | DKQFBUMLBKKLLP-UHFFFAOYSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C=CCCOCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956705 |