| SpectraBase Compound ID | 9a9yi4PGOTR |
|---|---|
| InChI | InChI=1S/C11H10Cl2O2/c1-7(14)11(15)5-3-8-2-4-9(12)6-10(8)13/h2-7,14H,1H3/b5-3+/t7-/m0/s1 |
| InChIKey | RZMGKUDZYMAQDI-MZTFZBDOSA-N |
| Mol Weight | 245.1 g/mol |
| Molecular Formula | C11H10Cl2O2 |
| Exact Mass | 244.005785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6IG5jlmV9Wb |
|---|---|
| Name | Trans-4(S)hydroxy-(2,4-dichlorophenyl)-pent-1-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.005784960 u |
| Formula | C11H10Cl2O2 |
| InChI | InChI=1S/C11H10Cl2O2/c1-7(14)11(15)5-3-8-2-4-9(12)6-10(8)13/h2-7,14H,1H3/b5-3+/t7-/m0/s1 |
| InChIKey | RZMGKUDZYMAQDI-MZTFZBDOSA-N |
| Molecular Weight | 245.105 g/mol |
| SMILES | C(\C=C\C=1C(=CC(=CC1)Cl)Cl)([C@](C)(O)[H])=O |