| SpectraBase Compound ID | 1Fb80SW6ezK |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-13(2,3)9-12(14)10-5-7-11(15-4)8-6-10/h5-8H,9H2,1-4H3 |
| InChIKey | VYMFZBJTEADJCT-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIdzyFndbUc |
|---|---|
| Name | 1-(4-Methoxyphenyl)-3,3-dimethyl-1-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-13(2,3)9-12(14)10-5-7-11(15-4)8-6-10/h5-8H,9H2,1-4H3 |
| InChIKey | VYMFZBJTEADJCT-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C=1C=CC(=CC1)OC)(CC(C)(C)C)=O |