![4-nitro-N-[(3,5-xylidino)methyl]phthalimide](/api/spectrum/CQjZsxKrd7Z/structure.png?h=300&w=458 "4-nitro-N-[(3,5-xylidino)methyl]phthalimide")
| SpectraBase Compound ID | 580Tz3UvxXE |
|---|---|
| InChI | InChI=1S/C17H15N3O4/c1-10-5-11(2)7-12(6-10)18-9-19-16(21)14-4-3-13(20(23)24)8-15(14)17(19)22/h3-8,18H,9H2,1-2H3 |
| InChIKey | JJDICSCMDCJRLG-UHFFFAOYSA-N |
| Mol Weight | 325.32 g/mol |
| Molecular Formula | C17H15N3O4 |
| Exact Mass | 325.106256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQjZsxKrd7Z |
|---|---|
| Name | 4-Nitro-N-[(3,5-xylidino)methyl]phthalimide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.106255971 u |
| Formula | C17H15N3O4 |
| InChI | InChI=1S/C17H15N3O4/c1-10-5-11(2)7-12(6-10)18-9-19-16(21)14-4-3-13(20(23)24)8-15(14)17(19)22/h3-8,18H,9H2,1-2H3 |
| InChIKey | JJDICSCMDCJRLG-UHFFFAOYSA-N |
| SMILES | N(CN1C(C2=C(C=C(C=C2)N(=O)=O)C1=O)=O)C=1C=C(C=C(C1)C)C |