| SpectraBase Compound ID | 4MIbRLk7Q9A |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-3-4-5-13(15)12-8-6-11(7-9-12)10(2)14/h3,6-9H,1,4-5H2,2H3 |
| InChIKey | NLKBTUJDRMQBEU-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 | 3sK5PaAFEmm |
|---|---|
| Name | 1-Acetyl-4-( 1'-oxo-4'-pentenyl)benzene |
| 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/c1-3-4-5-13(15)12-8-6-11(7-9-12)10(2)14/h3,6-9H,1,4-5H2,2H3 |
| InChIKey | NLKBTUJDRMQBEU-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| Nominal Mass | 202 u |
| SMILES | C=1(C(=O)C)C=CC(=CC1)C(=O)CCC=C |