| SpectraBase Compound ID | BC70Zghl8Zk |
|---|---|
| InChI | InChI=1S/C16H8ClF2NO3/c17-16(18,19)15(23)20-8-5-6-11-12(7-8)14(22)10-4-2-1-3-9(10)13(11)21/h1-7H,(H,20,23) |
| InChIKey | WYPJILFMQXBDBM-UHFFFAOYSA-N |
| Mol Weight | 335.69 g/mol |
| Molecular Formula | C16H8ClF2NO3 |
| Exact Mass | 335.016077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1VbCBiR5yas |
|---|---|
| Name | 2-Aminoanthraquinone, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.016077145 u |
| Formula | C16H8ClF2NO3 |
| InChI | InChI=1S/C16H8ClF2NO3/c17-16(18,19)15(23)20-8-5-6-11-12(7-8)14(22)10-4-2-1-3-9(10)13(11)21/h1-7H,(H,20,23) |
| InChIKey | WYPJILFMQXBDBM-UHFFFAOYSA-N |
| Molecular Weight | 335.694 g/mol |
| SMILES | C1(C2=C(C(C3=C1C=CC(=C3)NC(C(F)(F)Cl)=O)=O)C=CC=C2)=O |