| SpectraBase Compound ID | ClS0XyZG6TL |
|---|---|
| InChI | InChI=1S/C9H20N4O2/c1-6(10)8(14)12-4-3-5-13-9(15)7(2)11/h6-7H,3-5,10-11H2,1-2H3,(H,12,14)(H,13,15)/t6-,7-/m0/s1 |
| InChIKey | WJGZGFKXFJXPBA-BQBZGAKWSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C9H20N4O2 |
| Exact Mass | 216.158626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0H2fkel7I4 |
|---|---|
| Name | (S,S)-N,N'-bis(Alanyl)-1,3-diaminopropane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.158625898 u |
| Formula | C9H20N4O2 |
| InChI | InChI=1S/C9H20N4O2/c1-6(10)8(14)12-4-3-5-13-9(15)7(2)11/h6-7H,3-5,10-11H2,1-2H3,(H,12,14)(H,13,15)/t6-,7-/m0/s1 |
| InChIKey | WJGZGFKXFJXPBA-BQBZGAKWSA-N |
| Molecular Weight | 216.285 g/mol |
| SMILES | C(=O)(NCCCNC(=O)[C@@](N)(C)[H])[C@@](N)(C)[H] |