| SpectraBase Compound ID | 5pHUTDxHALf |
|---|---|
| InChI | InChI=1S/C13H19NO4/c1-9(2)8-10(13(16)17-4)14(3)12(15)11-6-5-7-18-11/h5-7,9-10H,8H2,1-4H3/t10-/m0/s1 |
| InChIKey | YAPJWNMYMLGLFZ-JTQLQIEISA-N |
| Mol Weight | 253.3 g/mol |
| Molecular Formula | C13H19NO4 |
| Exact Mass | 253.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yCxlZWjPQy |
|---|---|
| Name | (2S)-2-(2-Furoylamino)-4-methylpentanoic acid, N-methyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.131408092 u |
| Formula | C13H19NO4 |
| InChI | InChI=1S/C13H19NO4/c1-9(2)8-10(13(16)17-4)14(3)12(15)11-6-5-7-18-11/h5-7,9-10H,8H2,1-4H3/t10-/m0/s1 |
| InChIKey | YAPJWNMYMLGLFZ-JTQLQIEISA-N |
| Molecular Weight | 253.298 g/mol |
| SMILES | C(N([C@@](CC(C)C)(C(OC)=O)[H])C)(=O)C1=CC=CO1 |