| SpectraBase Compound ID | 1gKGQDXEQTj |
|---|---|
| InChI | InChI=1S/C5H11NO/c1-4(6-3)5(2)7/h4,6H,1-3H3 |
| InChIKey | RJTZBWCQBVOWGL-UHFFFAOYSA-N |
| Mol Weight | 101.15 g/mol |
| Molecular Formula | C5H11NO |
| Exact Mass | 101.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cnb6tiPAH0X |
|---|---|
| Name | Poly(L-alanine) fiber |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 101.084063977 u |
| Formula | C5H11NO |
| InChI | InChI=1S/C5H11NO/c1-4(6-3)5(2)7/h4,6H,1-3H3 |
| InChIKey | RJTZBWCQBVOWGL-UHFFFAOYSA-N |
| Molecular Weight | 101.149 g/mol |
| Nominal Mass | 101 u |
| SMILES | N(C)C(C(C)=O)C |