![ethanediamide, N~1~-[2-(1-pyrrolidinylcarbonyl)phenyl]-](/api/spectrum/3d8rMSDwlNp/structure.png?h=300&w=458 "ethanediamide, N~1~-[2-(1-pyrrolidinylcarbonyl)phenyl]-")
| SpectraBase Compound ID | BPJDpVwhykb |
|---|---|
| InChI | InChI=1S/C13H15N3O3/c14-11(17)12(18)15-10-6-2-1-5-9(10)13(19)16-7-3-4-8-16/h1-2,5-6H,3-4,7-8H2,(H2,14,17)(H,15,18) |
| InChIKey | SCGWHGDMRPJXLU-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C13H15N3O3 |
| Exact Mass | 261.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3d8rMSDwlNp |
|---|---|
| Name | Ethanediamide, N~1~-[2-(1-pyrrolidinylcarbonyl)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.111341352 u |
| Formula | C13H15N3O3 |
| InChI | InChI=1S/C13H15N3O3/c14-11(17)12(18)15-10-6-2-1-5-9(10)13(19)16-7-3-4-8-16/h1-2,5-6H,3-4,7-8H2,(H2,14,17)(H,15,18) |
| InChIKey | SCGWHGDMRPJXLU-UHFFFAOYSA-N |
| Molecular Weight | 261.281 g/mol |
| SMILES | N(C(C(=O)N)=O)C1=C(C(N2CCCC2)=O)C=CC=C1 |