| SpectraBase Compound ID | CSR9dNOhtIU |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9(8-10(2)13)11-4-6-12(14-3)7-5-11/h4-7,9H,8H2,1-3H3 |
| InChIKey | RFUINIPMZRHOMW-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AXAe7VjwPmH |
|---|---|
| Name | 4-(4-Methoxyphenyl)-2-pentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-9(8-10(2)13)11-4-6-12(14-3)7-5-11/h4-7,9H,8H2,1-3H3 |
| InChIKey | RFUINIPMZRHOMW-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1(C(CC(=O)C)C)=CC=C(C=C1)OC |