| SpectraBase Compound ID | FdEYQeVmYiH |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-2-6-12(14)9-10-13(15)11-7-4-3-5-8-11/h2-8H,9-10H2,1H3 |
| InChIKey | VKBNJQYLRLLOST-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPfVWAnzlIR |
|---|---|
| Name | 1-Phenyl-5-heptene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-2-6-12(14)9-10-13(15)11-7-4-3-5-8-11/h2-8H,9-10H2,1H3 |
| InChIKey | VKBNJQYLRLLOST-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C=1C(=CC=CC1)C(CCC(C=CC)=O)=O |