| SpectraBase Compound ID | GDoLVG3Rkw4 |
|---|---|
| InChI | InChI=1S/C12H18O/c1-10-6-5-7-11(8-10)9-13-12(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | WIAUQNWVCMSYSG-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yOm7y59SZF |
|---|---|
| Name | (3-Methylphenyl) methanol, tert.-butyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-10-6-5-7-11(8-10)9-13-12(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | WIAUQNWVCMSYSG-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1=C(C=CC=C1COC(C)(C)C)C |