![leucine, N-[(2E)-3-(4-fluorophenyl)-2-[(2-furanylcarbonyl)amino]-1-oxo-2-propenyl]-](/api/spectrum/EMQYRxrFpB9/structure.png?h=300&w=458 "leucine, N-[(2E)-3-(4-fluorophenyl)-2-[(2-furanylcarbonyl)amino]-1-oxo-2-propenyl]-")
| SpectraBase Compound ID | KnxZcfOWtds |
|---|---|
| InChI | InChI=1S/C20H21FN2O5/c1-12(2)10-16(20(26)27)23-18(24)15(11-13-5-7-14(21)8-6-13)22-19(25)17-4-3-9-28-17/h3-9,11-12,16H,10H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/b15-11+ |
| InChIKey | WPBSOYMJPUMBJM-RVDMUPIBSA-N |
| Mol Weight | 388.4 g/mol |
| Molecular Formula | C20H21FN2O5 |
| Exact Mass | 388.14345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EMQYRxrFpB9 |
|---|---|
| Name | Leucine, N-[(2E)-3-(4-fluorophenyl)-2-[(2-furanylcarbonyl)amino]-1-oxo-2-propenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.143449942 u |
| Formula | C20H21FN2O5 |
| InChI | InChI=1S/C20H21FN2O5/c1-12(2)10-16(20(26)27)23-18(24)15(11-13-5-7-14(21)8-6-13)22-19(25)17-4-3-9-28-17/h3-9,11-12,16H,10H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/b15-11+ |
| InChIKey | WPBSOYMJPUMBJM-RVDMUPIBSA-N |
| Molecular Weight | 388.395 g/mol |
| SMILES | N(C(\C(NC(C=1OC=CC1)=O)=C\C=1C=CC(=CC1)F)=O)C(C(=O)O)CC(C)C |