| SpectraBase Compound ID | 5o87ycyscGt |
|---|---|
| InChI | InChI=1S/C17H17ClO2/c1-11-3-5-13(6-4-11)16(19)12(2)17(20)14-7-9-15(18)10-8-14/h3-10,12,17,20H,1-2H3/t12-,17+/m1/s1 |
| InChIKey | YUVXPHMMMCONGA-PXAZEXFGSA-N |
| Mol Weight | 288.77 g/mol |
| Molecular Formula | C17H17ClO2 |
| Exact Mass | 288.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mH2SNcp6Ul |
|---|---|
| Name | 3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.091707485 u |
| Formula | C17H17ClO2 |
| InChI | InChI=1S/C17H17ClO2/c1-11-3-5-13(6-4-11)16(19)12(2)17(20)14-7-9-15(18)10-8-14/h3-10,12,17,20H,1-2H3/t12-,17+/m1/s1 |
| InChIKey | YUVXPHMMMCONGA-PXAZEXFGSA-N |
| SMILES | C=1C=C([C@]([C@@](C(C2=CC=C(C=C2)C)=O)(C)[H])(O)[H])C=CC1Cl |