| SpectraBase Compound ID | DcO9LBFGXaB |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h3,7-10H,1,4-6H2,2H3 |
| InChIKey | IRATWMHAVKAMKY-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WARpUtDW9f |
|---|---|
| Name | 1-(4-Methoxyphenyl)-5-hexen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h3,7-10H,1,4-6H2,2H3 |
| InChIKey | IRATWMHAVKAMKY-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(C=1C=CC(=CC1)OC)(=O)CCCC=C |