| SpectraBase Compound ID | KMrZYhcgrbO |
|---|---|
| InChI | InChI=1S/C12H18O/c1-10(2)8-13-9-12-6-4-5-11(3)7-12/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | IYDGSOYVMNWCIR-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 | 5A2923CUEbg |
|---|---|
| Name | (3-Methylphenyl) methanol, 2-methylpropyl 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)8-13-9-12-6-4-5-11(3)7-12/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | IYDGSOYVMNWCIR-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1=C(C=CC=C1COCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959962 |