| SpectraBase Compound ID | 4C62IlBN9th |
|---|---|
| InChI | InChI=1S/C14H7NO7/c16-7-4-8(17)13(19)11-10(7)14(20)9-5(12(11)18)2-1-3-6(9)15(21)22/h1-4,16-17,19H |
| InChIKey | MVZZKYNFKAUQOH-UHFFFAOYSA-N |
| Mol Weight | 301.21 g/mol |
| Molecular Formula | C14H7NO7 |
| Exact Mass | 301.022252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZXZxQPLWPB |
|---|---|
| Name | 1,2,4-Trihydroxy-5-nitroanthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.022251562 u |
| Formula | C14H7NO7 |
| InChI | InChI=1S/C14H7NO7/c16-7-4-8(17)13(19)11-10(7)14(20)9-5(12(11)18)2-1-3-6(9)15(21)22/h1-4,16-17,19H |
| InChIKey | MVZZKYNFKAUQOH-UHFFFAOYSA-N |
| Molecular Weight | 301.210 g/mol |
| SMILES | C=12C(C(=O)C3=C(C2=O)C(N(=O)=O)=CC=C3)=C(O)C(=CC1O)O |