| SpectraBase Compound ID | Iq2NwDHldUm |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-4-13(14)10(2)9-11-5-7-12(15-3)8-6-11/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | ATILRZGNTIFPRG-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 | K2wieX7uE4P |
|---|---|
| Name | 1-(4-Methoxyphenyl)-2-methylpentan-3-one |
| 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/c1-4-13(14)10(2)9-11-5-7-12(15-3)8-6-11/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | ATILRZGNTIFPRG-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C(C(CC)=O)C)C=1C=CC(=CC1)OC |