| SpectraBase Compound ID | 4o7qjzwTqsx |
|---|---|
| InChI | InChI=1S/C15H20O2/c1-2-3-5-10-14(16)11-12-15(17)13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3 |
| InChIKey | UULDMMFVFPWILP-UHFFFAOYSA-N |
| Mol Weight | 232.32 g/mol |
| Molecular Formula | C15H20O2 |
| Exact Mass | 232.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14z6lUXbsqN |
|---|---|
| Name | 1-Phenyl-1,4-nonanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.146329882 u |
| Formula | C15H20O2 |
| InChI | InChI=1S/C15H20O2/c1-2-3-5-10-14(16)11-12-15(17)13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3 |
| InChIKey | UULDMMFVFPWILP-UHFFFAOYSA-N |
| Molecular Weight | 232.323 g/mol |
| SMILES | C1=CC(=CC=C1)C(CCC(CCCCC)=O)=O |