| SpectraBase Compound ID | JfYqeUBtLVW |
|---|---|
| InChI | InChI=1S/C13H16O/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9H,1,6-7,10H2,2H3 |
| InChIKey | GKGWPSZFIYQRRW-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uBd3g7T1YM |
|---|---|
| Name | 5-Methyl-1-phenylhex-5-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9H,1,6-7,10H2,2H3 |
| InChIKey | GKGWPSZFIYQRRW-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C1=CC(C(CCCC(C)=C)=O)=CC=C1 |