| SpectraBase Compound ID | IFpaecurc4T |
|---|---|
| InChI | InChI=1S/C18H28N2O2/c1-4-5-7-12-17(21)20-16(13-14(2)3)18(22)19-15-10-8-6-9-11-15/h6,8-11,14,16H,4-5,7,12-13H2,1-3H3,(H,19,22)(H,20,21) |
| InChIKey | GQYXLKVOOBHXIP-UHFFFAOYSA-N |
| Mol Weight | 304.43 g/mol |
| Molecular Formula | C18H28N2O2 |
| Exact Mass | 304.215078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjG5u7EejYP |
|---|---|
| Name | N-Hexanoyl-L-leucine anilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.215078148 u |
| Formula | C18H28N2O2 |
| InChI | InChI=1S/C18H28N2O2/c1-4-5-7-12-17(21)20-16(13-14(2)3)18(22)19-15-10-8-6-9-11-15/h6,8-11,14,16H,4-5,7,12-13H2,1-3H3,(H,19,22)(H,20,21) |
| InChIKey | GQYXLKVOOBHXIP-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)NC(=O)C(NC(CCCCC)=O)CC(C)C |