![2-Methyl-N-[(1R,8S)-pyrrolizidin-1-yl]butyramide](/api/spectrum/3GAAVRGKjMb/structure.png?h=300&w=458 "2-Methyl-N-[(1R,8S)-pyrrolizidin-1-yl]butyramide")
| SpectraBase Compound ID | 4XIz9ZtcqzM |
|---|---|
| InChI | InChI=1S/C12H22N2O/c1-3-9(2)12(15)13-10-6-8-14-7-4-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t9?,10-,11+/m1/s1 |
| InChIKey | JBALUFGTAJXLSF-ZOCYIJKUSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C12H22N2O |
| Exact Mass | 210.173213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GAAVRGKjMb |
|---|---|
| Name | 2-Methyl-N-[(1R,8S)-pyrrolizidin-1-yl]butyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.173213335 u |
| Formula | C12H22N2O |
| InChI | InChI=1S/C12H22N2O/c1-3-9(2)12(15)13-10-6-8-14-7-4-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t9?,10-,11+/m1/s1 |
| InChIKey | JBALUFGTAJXLSF-ZOCYIJKUSA-N |
| Molecular Weight | 210.321 g/mol |
| SMILES | C(N[C@]1([C@]2(N(CCC2)CC1)[H])[H])(=O)C(CC)C |