| SpectraBase Compound ID | 8yAllB9YNrg |
|---|---|
| InChI | InChI=1S/C12H17N3O3/c1-9-4-5-11(12(8-9)15(17)18)14-7-3-6-13-10(2)16/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,16) |
| InChIKey | CPNJWOIUMDOFKL-UHFFFAOYSA-N |
| Mol Weight | 251.29 g/mol |
| Molecular Formula | C12H17N3O3 |
| Exact Mass | 251.126991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H55dVkiCjov |
|---|---|
| Name | N-(3-Aminopropyl)-4-methyl-2-nitroaniline, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.126991416 u |
| Formula | C12H17N3O3 |
| InChI | InChI=1S/C12H17N3O3/c1-9-4-5-11(12(8-9)15(17)18)14-7-3-6-13-10(2)16/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,16) |
| InChIKey | CPNJWOIUMDOFKL-UHFFFAOYSA-N |
| Molecular Weight | 251.286 g/mol |
| SMILES | C1(N(=O)=O)=C(C=CC(=C1)C)NCCCNC(=O)C |