| SpectraBase Compound ID | 3Scs1nmjD7Z |
|---|---|
| InChI | InChI=1S/C13H8N2O5/c16-13(9-4-3-5-10(8-9)14(17)18)11-6-1-2-7-12(11)15(19)20/h1-8H |
| InChIKey | PBJHVHYQMJRIBN-UHFFFAOYSA-N |
| Mol Weight | 272.22 g/mol |
| Molecular Formula | C13H8N2O5 |
| Exact Mass | 272.043321 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 | IOFaOwyq8NT |
|---|---|
| Name | (2-Nitrophenyl)-(3-nitrophenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.043321361 u |
| Formula | C13H8N2O5 |
| InChI | InChI=1S/C13H8N2O5/c16-13(9-4-3-5-10(8-9)14(17)18)11-6-1-2-7-12(11)15(19)20/h1-8H |
| InChIKey | PBJHVHYQMJRIBN-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C(C(C=2C=C(N(=O)=O)C=CC2)=O)=CC=CC1 |