![N-[(6-Methyl-2-pyridyl)aminomethyl]-4-nitrophthalimide](/api/spectrum/EfziH7mG8UM/structure.png?h=300&w=458 "N-[(6-Methyl-2-pyridyl)aminomethyl]-4-nitrophthalimide")
| SpectraBase Compound ID | CttGyZmgvJk |
|---|---|
| InChI | InChI=1S/C15H12N4O4/c1-9-3-2-4-13(17-9)16-8-18-14(20)11-6-5-10(19(22)23)7-12(11)15(18)21/h2-7H,8H2,1H3,(H,16,17) |
| InChIKey | XYRIYZFINCRLMV-UHFFFAOYSA-N |
| Mol Weight | 312.29 g/mol |
| Molecular Formula | C15H12N4O4 |
| Exact Mass | 312.085855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfziH7mG8UM |
|---|---|
| Name | N-[(6-Methyl-2-pyridyl)aminomethyl]-4-nitrophthalimide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.085854878 u |
| Formula | C15H12N4O4 |
| InChI | InChI=1S/C15H12N4O4/c1-9-3-2-4-13(17-9)16-8-18-14(20)11-6-5-10(19(22)23)7-12(11)15(18)21/h2-7H,8H2,1H3,(H,16,17) |
| InChIKey | XYRIYZFINCRLMV-UHFFFAOYSA-N |
| Molecular Weight | 312.285 g/mol |
| SMILES | CC1=CC=CC(=N1)NCN1C(C2=CC(N(=O)=O)=CC=C2C1=O)=O |