![1,4-Butanediamine, N'-[4-(dimethylamino)butyl]-N,N-dimethyl-](/api/spectrum/4sMPF4m2qy9/structure.png?h=300&w=458 "1,4-Butanediamine, N'-[4-(dimethylamino)butyl]-N,N-dimethyl-")
| SpectraBase Compound ID | 4nz5JiEkPWo |
|---|---|
| InChI | InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3 |
| InChIKey | QUMHDXJIDPCZCB-UHFFFAOYSA-N |
| Mol Weight | 215.38 g/mol |
| Molecular Formula | C12H29N3 |
| Exact Mass | 215.236148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sMPF4m2qy9 |
|---|---|
| Name | 1,4-Butanediamine, N'-[4-(dimethylamino)butyl]-N,N-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.236147946 u |
| Formula | C12H29N3 |
| InChI | InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3 |
| InChIKey | QUMHDXJIDPCZCB-UHFFFAOYSA-N |
| Molecular Weight | 215.385 g/mol |
| SMILES | C(CCCNCCCCN(C)C)N(C)C |