| SpectraBase Compound ID | KSbzyEcMBMt |
|---|---|
| InChI | InChI=1S/C18H17ClO3/c1-18(2,3)22-17(21)15-7-5-4-6-14(15)16(20)12-8-10-13(19)11-9-12/h4-11H,1-3H3 |
| InChIKey | ARNGZKWWYNHYMZ-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 | EktUNyru6J4 |
|---|---|
| Name | Tert-butyl 2-(4-chlorobenzoyl)benzoate |
| 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)22-17(21)15-7-5-4-6-14(15)16(20)12-8-10-13(19)11-9-12/h4-11H,1-3H3 |
| InChIKey | ARNGZKWWYNHYMZ-UHFFFAOYSA-N |
| Molecular Weight | 316.784 g/mol |
| SMILES | C(C=1C(C(C=2C=CC(=CC2)Cl)=O)=CC=CC1)(OC(C)(C)C)=O |