| SpectraBase Compound ID | CLF4n15izfG |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-4-10-7-8-11(13-5-2)12(9-10)14-6-3/h7-9H,4-6H2,1-3H3 |
| InChIKey | UBLKIWURCMXRBT-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | oO2QxefB1v |
|---|---|
| Name | 1,2-Diethoxy-4-ethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-4-10-7-8-11(13-5-2)12(9-10)14-6-3/h7-9H,4-6H2,1-3H3 |
| InChIKey | UBLKIWURCMXRBT-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1(CC)=CC(OCC)=C(C=C1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964974 |