| SpectraBase Compound ID | KbCjGKrxJf6 |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-11(14)5-3-4-6-12-7-9-13(15-2)10-8-12/h3,5,7-10H,4,6H2,1-2H3/b5-3+ |
| InChIKey | VHCHKVTYZDWNGL-HWKANZROSA-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 | Ir65RtyITlh |
|---|---|
| Name | 6-(4-Methoxyphenyl)hex-3-en-2-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/c1-11(14)5-3-4-6-12-7-9-13(15-2)10-8-12/h3,5,7-10H,4,6H2,1-2H3/b5-3+ |
| InChIKey | VHCHKVTYZDWNGL-HWKANZROSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | CC(\C=C\CCC1=CC=C(C=C1)OC)=O |