| SpectraBase Compound ID | EPf8cesgClm |
|---|---|
| InChI | InChI=1S/C17H15ClO4/c1-11(2)16(19)21-14-4-3-5-15(10-14)22-17(20)12-6-8-13(18)9-7-12/h3-11H,1-2H3 |
| InChIKey | XAPZCBQNXRWFCV-UHFFFAOYSA-N |
| Mol Weight | 318.76 g/mol |
| Molecular Formula | C17H15ClO4 |
| Exact Mass | 318.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZQrsa1RWBX |
|---|---|
| Name | 1,3-Benzenediol, o-(4-chlorobenzoyl)-o'-isobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.065886659 u |
| Formula | C17H15ClO4 |
| InChI | InChI=1S/C17H15ClO4/c1-11(2)16(19)21-14-4-3-5-15(10-14)22-17(20)12-6-8-13(18)9-7-12/h3-11H,1-2H3 |
| InChIKey | XAPZCBQNXRWFCV-UHFFFAOYSA-N |
| Molecular Weight | 318.756 g/mol |
| SMILES | C1(=CC=CC(=C1)OC(=O)C1=CC=C(C=C1)Cl)OC(C(C)C)=O |