| SpectraBase Compound ID | 3w2vW2VnEYC |
|---|---|
| InChI | InChI=1S/C12H11ClO/c1-10(8-9-14)2-3-11-4-6-12(13)7-5-11/h2-9H,1H3/b3-2+,10-8- |
| InChIKey | STIFTPSMAJPRBO-DFMWGIFQSA-N |
| Mol Weight | 206.67 g/mol |
| Molecular Formula | C12H11ClO |
| Exact Mass | 206.049843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rFpLjTHSMJ |
|---|---|
| Name | (2Z,4E)-5-(4'-Chlorophenyl)-3-methylpenta-2,4-dienal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.049842673 u |
| Formula | C12H11ClO |
| InChI | InChI=1S/C12H11ClO/c1-10(8-9-14)2-3-11-4-6-12(13)7-5-11/h2-9H,1H3/b3-2+,10-8- |
| InChIKey | STIFTPSMAJPRBO-DFMWGIFQSA-N |
| Molecular Weight | 206.672 g/mol |
| SMILES | C1(\C=C\C(=C/C=O)C)=CC=C(C=C1)Cl |