| SpectraBase Compound ID | CGxLUfFIi3b |
|---|---|
| InChI | InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21) |
| InChIKey | MNIPYSSQXLZQLJ-UHFFFAOYSA-N |
| Mol Weight | 354.19 g/mol |
| Molecular Formula | C16H13Cl2NO4 |
| Exact Mass | 353.022163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2f2A8kKER5I |
|---|---|
| Name | Aceclofenac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.022163299 u |
| Formula | C16H13Cl2NO4 |
| InChI | InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21) |
| InChIKey | MNIPYSSQXLZQLJ-UHFFFAOYSA-N |
| Molecular Weight | 354.189 g/mol |
| SMILES | OC(COC(CC=1C=CC=CC1NC1=C(C=CC=C1Cl)Cl)=O)=O |