![1,3-Propanediamine, N(1),N(1)-dimethyl-N(3)-[(1-methyl-1H-pyrrol-2-yl)methyl]-](/api/spectrum/9l3Yhsd7TE2/structure.png?h=300&w=458 "1,3-Propanediamine, N(1),N(1)-dimethyl-N(3)-[(1-methyl-1H-pyrrol-2-yl)methyl]-")
| SpectraBase Compound ID | cNCdNfSLaD |
|---|---|
| InChI | InChI=1S/C11H21N3/c1-13(2)8-5-7-12-10-11-6-4-9-14(11)3/h4,6,9,12H,5,7-8,10H2,1-3H3 |
| InChIKey | MVFOAPZCLSLCCK-UHFFFAOYSA-N |
| Mol Weight | 195.31 g/mol |
| Molecular Formula | C11H21N3 |
| Exact Mass | 195.173548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9l3Yhsd7TE2 |
|---|---|
| Name | 1,3-Propanediamine, N(1),N(1)-dimethyl-N(3)-[(1-methyl-1H-pyrrol-2-yl)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.173547688 u |
| Formula | C11H21N3 |
| InChI | InChI=1S/C11H21N3/c1-13(2)8-5-7-12-10-11-6-4-9-14(11)3/h4,6,9,12H,5,7-8,10H2,1-3H3 |
| InChIKey | MVFOAPZCLSLCCK-UHFFFAOYSA-N |
| Molecular Weight | 195.310 g/mol |
| SMILES | CN(C)CCCNCC=1N(C=CC1)C |