| SpectraBase Compound ID | 5q2TczamDiZ |
|---|---|
| InChI | InChI=1S/C11H16O/c1-4-10-6-5-7-11(8-10)12-9(2)3/h5-9H,4H2,1-3H3 |
| InChIKey | JREYNWDQIHUNKY-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C3NguPulQqY |
|---|---|
| Name | 3-Ethylphenol, isopropyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-4-10-6-5-7-11(8-10)12-9(2)3/h5-9H,4H2,1-3H3 |
| InChIKey | JREYNWDQIHUNKY-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C1=C(C=CC=C1OC(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926084 |