| SpectraBase Compound ID | ABbTGiPij2S |
|---|---|
| InChI | InChI=1S/C13H15ClO/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-9H,1-3H3/b9-8+ |
| InChIKey | NNJDRJPNKTXASA-CMDGGOBGSA-N |
| Mol Weight | 222.71 g/mol |
| Molecular Formula | C13H15ClO |
| Exact Mass | 222.081143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KaMkCaQTgOA |
|---|---|
| Name | 2-Penten-1-one, 1-(4-chlorophenyl)-4,4-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.081142802 u |
| Formula | C13H15ClO |
| InChI | InChI=1S/C13H15ClO/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-9H,1-3H3/b9-8+ |
| InChIKey | NNJDRJPNKTXASA-CMDGGOBGSA-N |
| Molecular Weight | 222.715 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)C(\C=C\C(C)(C)C)=O |