| SpectraBase Compound ID | 93Li6Kr8VW |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-14(2,3)13(15)10-7-11-5-8-12(16-4)9-6-11/h5-10H,1-4H3/b10-7+ |
| InChIKey | PZWWXCPIPRJHNG-JXMROGBWSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 57FAG9jOjss |
|---|---|
| Name | (E)-1-(4-Methoxyphenyl)-4,4-dimethyl-1-penten-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-14(2,3)13(15)10-7-11-5-8-12(16-4)9-6-11/h5-10H,1-4H3/b10-7+ |
| InChIKey | PZWWXCPIPRJHNG-JXMROGBWSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)OC)(C(C)(C)C)=O |