| SpectraBase Compound ID | AUBr2yfXA9s |
|---|---|
| InChI | InChI=1S/C18H17ClO3/c1-11(2)18(21)22-16-10-12(3)8-9-14(16)17(20)13-6-4-5-7-15(13)19/h4-11H,1-3H3 |
| InChIKey | JYWMLNXOXYEINR-UHFFFAOYSA-N |
| Mol Weight | 316.78 g/mol |
| Molecular Formula | C18H17ClO3 |
| Exact Mass | 316.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IaR32XRgufx |
|---|---|
| Name | 2-Chloro-2'-hydroxy-4'-methylbenzophenone, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.086622104 u |
| Formula | C18H17ClO3 |
| InChI | InChI=1S/C18H17ClO3/c1-11(2)18(21)22-16-10-12(3)8-9-14(16)17(20)13-6-4-5-7-15(13)19/h4-11H,1-3H3 |
| InChIKey | JYWMLNXOXYEINR-UHFFFAOYSA-N |
| Molecular Weight | 316.784 g/mol |
| SMILES | C1(Cl)=C(C=CC=C1)C(=O)C1=C(C=C(C=C1)C)OC(C(C)C)=O |