| SpectraBase Compound ID | Bz9a7Lb14nU |
|---|---|
| InChI | InChI=1S/C12H18O/c1-3-5-10-13-12-9-7-6-8-11(12)4-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | HJWWCGJBRCSDPY-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DwSU3EVXnb6 |
|---|---|
| Name | 2-Ethylphenol, N-butyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-3-5-10-13-12-9-7-6-8-11(12)4-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | HJWWCGJBRCSDPY-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1(=CC=CC=C1OCCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960724 |