| SpectraBase Compound ID | B3XDLrDLQ04 |
|---|---|
| InChI | InChI=1S/C12H13ClO/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h3-9H,1-2H3/b8-3+ |
| InChIKey | YYIFZLFEEABUSK-FPYGCLRLSA-N |
| Mol Weight | 208.69 g/mol |
| Molecular Formula | C12H13ClO |
| Exact Mass | 208.065493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgoEy8G1BX5 |
|---|---|
| Name | 2-Penten-1-one, 1-(4-chlorophenyl)-4-methyl-; 2-pentenophenone, 4'-chloro-4-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.065492738 u |
| Formula | C12H13ClO |
| InChI | InChI=1S/C12H13ClO/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h3-9H,1-2H3/b8-3+ |
| InChIKey | YYIFZLFEEABUSK-FPYGCLRLSA-N |
| Molecular Weight | 208.688 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)C(\C=C\C(C)C)=O |