| SpectraBase Compound ID | BQbtKdyfFR6 |
|---|---|
| InChI | InChI=1S/C17H15ClO2/c18-15-9-7-14(8-10-15)17(20)12-16(19)11-6-13-4-2-1-3-5-13/h1-11,17,20H,12H2/b11-6+/t17-/m1/s1 |
| InChIKey | RPDZNOBRXCZDGR-SCBHQAGPSA-N |
| Mol Weight | 286.76 g/mol |
| Molecular Formula | C17H15ClO2 |
| Exact Mass | 286.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QAkBDXQqZt |
|---|---|
| Name | (5R,1E)-5-Hydroxy-5-(4-chlorophenyl)-1-phenyl-1-penten-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.076057421 u |
| Formula | C17H15ClO2 |
| InChI | InChI=1S/C17H15ClO2/c18-15-9-7-14(8-10-15)17(20)12-16(19)11-6-13-4-2-1-3-5-13/h1-11,17,20H,12H2/b11-6+/t17-/m1/s1 |
| InChIKey | RPDZNOBRXCZDGR-SCBHQAGPSA-N |
| SMILES | C([C@](C=1C=CC(=CC1)Cl)(O)[H])C(\C=C\C=1C=CC=CC1)=O |