![4'-{[(4-nitrophthalimido)methyl]amino}acetophenone](/api/spectrum/IHe64uRYmma/structure.png?h=300&w=458 "4'-{[(4-nitrophthalimido)methyl]amino}acetophenone")
| SpectraBase Compound ID | CHLPNbEHyBY |
|---|---|
| InChI | InChI=1S/C17H13N3O5/c1-10(21)11-2-4-12(5-3-11)18-9-19-16(22)14-7-6-13(20(24)25)8-15(14)17(19)23/h2-8,18H,9H2,1H3 |
| InChIKey | WGVBDWNZTZREAU-UHFFFAOYSA-N |
| Mol Weight | 339.31 g/mol |
| Molecular Formula | C17H13N3O5 |
| Exact Mass | 339.085521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IHe64uRYmma |
|---|---|
| Name | 4'-{[(4-nitrophthalimido)methyl]amino}acetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.085520526 u |
| Formula | C17H13N3O5 |
| InChI | InChI=1S/C17H13N3O5/c1-10(21)11-2-4-12(5-3-11)18-9-19-16(22)14-7-6-13(20(24)25)8-15(14)17(19)23/h2-8,18H,9H2,1H3 |
| InChIKey | WGVBDWNZTZREAU-UHFFFAOYSA-N |
| SMILES | N(CN1C(C2=C(C=C(C=C2)N(=O)=O)C1=O)=O)C=1C=CC(=CC1)C(C)=O |