![3-Acetaminoacetamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-](/api/spectrum/JqVnVMTwipo/structure.png?h=300&w=458 "3-Acetaminoacetamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-")
| SpectraBase Compound ID | 2kILHJbzT6J |
|---|---|
| InChI | InChI=1S/C13H21N3O2/c1-12(17)14-11-13(18)15(2)7-3-4-8-16-9-5-6-10-16/h5-11H2,1-2H3,(H,14,17) |
| InChIKey | WJLPMWKOBWPJKB-UHFFFAOYSA-N |
| Mol Weight | 251.33 g/mol |
| Molecular Formula | C13H21N3O2 |
| Exact Mass | 251.163377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqVnVMTwipo |
|---|---|
| Name | 3-Acetaminoacetamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.163376926 u |
| Formula | C13H21N3O2 |
| InChI | InChI=1S/C13H21N3O2/c1-12(17)14-11-13(18)15(2)7-3-4-8-16-9-5-6-10-16/h5-11H2,1-2H3,(H,14,17) |
| InChIKey | WJLPMWKOBWPJKB-UHFFFAOYSA-N |
| Molecular Weight | 251.330 g/mol |
| SMILES | C1N(CCC1)CC#CCN(C)C(CNC(C)=O)=O |