| SpectraBase Compound ID | GIOyLe1tRZQ |
|---|---|
| InChI | InChI=1S/C12H18O/c1-10(2)8-9-13-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | BGMZYLDJORRZMQ-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 | DUqgnIDoKkh |
|---|---|
| Name | 4-Methylphenol, 3-methylbutyl 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/c1-10(2)8-9-13-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | BGMZYLDJORRZMQ-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1=CC(=CC=C1C)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956695 |