| SpectraBase Compound ID | 5S32MSxm1Bt |
|---|---|
| InChI | InChI=1S/C13H24N2O3/c1-9(2)11(14(3)4)12(16)15-8-6-7-10(15)13(17)18-5/h9-11H,6-8H2,1-5H3 |
| InChIKey | XSOGRTKSEQOERP-UHFFFAOYSA-N |
| Mol Weight | 256.35 g/mol |
| Molecular Formula | C13H24N2O3 |
| Exact Mass | 256.178693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgA1OiPyH7B |
|---|---|
| Name | 1-(2-Amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid, chloride, 3me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.178692638 u |
| Formula | C13H24N2O3 |
| InChI | InChI=1S/C13H24N2O3/c1-9(2)11(14(3)4)12(16)15-8-6-7-10(15)13(17)18-5/h9-11H,6-8H2,1-5H3 |
| InChIKey | XSOGRTKSEQOERP-UHFFFAOYSA-N |
| Molecular Weight | 256.346 g/mol |
| SMILES | C1(N(CCC1)C(=O)C(N(C)C)C(C)C)C(=O)OC |