| SpectraBase Compound ID | 9iCe7iT3akI |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-4-12(13)9(2)10-5-7-11(14-3)8-6-10/h5-9H,4H2,1-3H3 |
| InChIKey | DTLQGRAGKDDPQT-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MNaV3yOUDH |
|---|---|
| Name | 3-Pentanone, 2-(4-methoxyphenyl)- |
| 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/c1-4-12(13)9(2)10-5-7-11(14-3)8-6-10/h5-9H,4H2,1-3H3 |
| InChIKey | DTLQGRAGKDDPQT-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(C(C=1C=CC(=CC1)OC)C)(=O)CC |