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Methyl (Z)-octadec-11-enoyl-L-leucinate
SpectraBase Compound ID 50W5232gGpN
InChI InChI=1S/C25H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)26-23(21-22(2)3)25(28)29-4/h10-11,22-23H,5-9,12-21H2,1-4H3,(H,26,27)/b11-10-
InChIKey DPXOBEZLUIWQRJ-KHPPLWFESA-N
Mol Weight 409.7 g/mol
Molecular Formula C25H47NO3
Exact Mass 409.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaGHiozRH92
Name Methyl (Z)-octadec-11-enoyl-L-leucinate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.355594374 u
Formula C25H47NO3
InChI InChI=1S/C25H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)26-23(21-22(2)3)25(28)29-4/h10-11,22-23H,5-9,12-21H2,1-4H3,(H,26,27)/b11-10-
InChIKey DPXOBEZLUIWQRJ-KHPPLWFESA-N
Molecular Weight 409.655 g/mol
SMILES C(C(NC(CCCCCCCCC\C=C/CCCCCC)=O)CC(C)C)(=O)OC