![2-{[(4-nitrophenyl)methyl]amino}naphthalene-1,4-dione](/api/spectrum/7Zww9zJorWU/structure.png?h=300&w=458 "2-{[(4-nitrophenyl)methyl]amino}naphthalene-1,4-dione")
| SpectraBase Compound ID | JBCVmP4iHQK |
|---|---|
| InChI | InChI=1S/C17H12N2O4/c20-16-9-15(17(21)14-4-2-1-3-13(14)16)18-10-11-5-7-12(8-6-11)19(22)23/h1-9,18H,10H2 |
| InChIKey | JKNOANAHEKZEBU-UHFFFAOYSA-N |
| Mol Weight | 308.29 g/mol |
| Molecular Formula | C17H12N2O4 |
| Exact Mass | 308.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Zww9zJorWU |
|---|---|
| Name | 2-{[(4-nitrophenyl)methyl]amino}naphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.079706870 u |
| Formula | C17H12N2O4 |
| InChI | InChI=1S/C17H12N2O4/c20-16-9-15(17(21)14-4-2-1-3-13(14)16)18-10-11-5-7-12(8-6-11)19(22)23/h1-9,18H,10H2 |
| InChIKey | JKNOANAHEKZEBU-UHFFFAOYSA-N |
| Molecular Weight | 308.293 g/mol |
| SMILES | C1=CC=CC2=C1C(C=C(C2=O)NCC=1C=CC(=CC1)N(=O)=O)=O |