| SpectraBase Compound ID | 7VmtbXAC11Z |
|---|---|
| InChI | InChI=1S/C13H16O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h2,4-8H,1,3,9-11H2 |
| InChIKey | QPEDUEYSOGQBBF-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 | 3RBKJlKTR7V |
|---|---|
| Name | 1-Phenylhept-6-en-3-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/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h2,4-8H,1,3,9-11H2 |
| InChIKey | QPEDUEYSOGQBBF-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C(CC(CCC=C)=O)C=1C=CC=CC1 |