| SpectraBase Compound ID | CABXnG5YYhi |
|---|---|
| InChI | InChI=1S/C18H17ClO3/c1-18(2,3)17(21)22-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11H,1-3H3 |
| InChIKey | VZRFXAGJEKFUKN-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 | JIEwLTu0Un2 |
|---|---|
| Name | 4-Chloro-4'-hydroxybenzophenone, trimethylacetate |
| 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/c1-18(2,3)17(21)22-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11H,1-3H3 |
| InChIKey | VZRFXAGJEKFUKN-UHFFFAOYSA-N |
| Molecular Weight | 316.784 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC(C(C)(C)C)=O |