| SpectraBase Compound ID | KblWEBNp900 |
|---|---|
| InChI | InChI=1S/C14H10.C6H3N3O7/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H;1-2,10H |
| InChIKey | QUKFYXPVLGBOEN-UHFFFAOYSA-N |
| Mol Weight | 407.34 g/mol |
| Molecular Formula | C20H13N3O7 |
| Exact Mass | 407.07535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9770gMUtfQC |
|---|---|
| Name | Phenanthrene, picrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.075349764 u |
| Formula | C20H13N3O7 |
| InChI | InChI=1S/C14H10.C6H3N3O7/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H;1-2,10H |
| InChIKey | QUKFYXPVLGBOEN-UHFFFAOYSA-N |
| Molecular Weight | 407.338 g/mol |
| SMILES | N(=O)(=O)C1=CC(=C(C(=C1)N(=O)=O)O)N(=O)=O.C1=CC=2C3=C(C=CC=C3)C=CC2C=C1 |