| SpectraBase Compound ID | 50vROqqiuQE |
|---|---|
| InChI | InChI=1S/C12H18O/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8H,9H2,1-4H3 |
| InChIKey | PNMIQNQBKODIPP-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 | 5a5ElkkQJ6f |
|---|---|
| Name | Benzene, 1-(1,1-dimethylethyl)-4-(methoxymethyl)- |
| 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/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8H,9H2,1-4H3 |
| InChIKey | PNMIQNQBKODIPP-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1=C(COC)C=CC(=C1)C(C)(C)C |