| SpectraBase Compound ID | BYFDGZkJAbC |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-11(14)7-5-6-10-13(15)12-8-3-2-4-9-12/h2-4,6,8-10H,5,7H2,1H3/b10-6+ |
| InChIKey | SFPGPDYTCFXYAS-UXBLZVDNSA-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 | 6xDTvoRBnqq |
|---|---|
| Name | 1-Phenyl-hept-2-ene-1,6-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/c1-11(14)7-5-6-10-13(15)12-8-3-2-4-9-12/h2-4,6,8-10H,5,7H2,1H3/b10-6+ |
| InChIKey | SFPGPDYTCFXYAS-UXBLZVDNSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C1(=CC=CC=C1)C(\C=C\CCC(C)=O)=O |