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L-Leucyl-L-leucine, N-propargyloxycarbonyl-, propargyl ester
SpectraBase Compound ID 3T7YLlJ0ORH
InChI InChI=1S/C19H28N2O5/c1-7-9-25-18(23)16(12-14(5)6)20-17(22)15(11-13(3)4)21-19(24)26-10-8-2/h1-2,13-16H,9-12H2,3-6H3,(H,20,22)(H,21,24)
InChIKey DWTTUCPSSPSZKC-UHFFFAOYSA-N
Mol Weight 364.44 g/mol
Molecular Formula C19H28N2O5
Exact Mass 364.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSm3HaZMQ9y
Name L-Leucyl-L-leucine, N-propargyloxycarbonyl-, propargyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.199822005 u
Formula C19H28N2O5
InChI InChI=1S/C19H28N2O5/c1-7-9-25-18(23)16(12-14(5)6)20-17(22)15(11-13(3)4)21-19(24)26-10-8-2/h1-2,13-16H,9-12H2,3-6H3,(H,20,22)(H,21,24)
InChIKey DWTTUCPSSPSZKC-UHFFFAOYSA-N
Molecular Weight 364.442 g/mol
SMILES C#CCOC(NC(C(NC(C(OCC#C)=O)CC(C)C)=O)CC(C)C)=O