| SpectraBase Compound ID | HeFp1biUomE |
|---|---|
| InChI | InChI=1S/C12H17N3O3/c1-3-14(10(2)16)9-8-13-11-4-6-12(7-5-11)15(17)18/h4-7,13H,3,8-9H2,1-2H3 |
| InChIKey | MYIYBIXNBCBRJL-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 | FwtEOJldUH7 |
|---|---|
| Name | 1,2-Ethanediamine, N1-ethyl-N2-(4-nitrophenyl)-, N1-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/c1-3-14(10(2)16)9-8-13-11-4-6-12(7-5-11)15(17)18/h4-7,13H,3,8-9H2,1-2H3 |
| InChIKey | MYIYBIXNBCBRJL-UHFFFAOYSA-N |
| Molecular Weight | 251.286 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C=C1)NCCN(CC)C(C)=O |