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L-Leucyl-L-leucine, N-propargyloxycarbonyl-, ethyl ester
SpectraBase Compound ID FfELTimWrLi
InChI InChI=1S/C18H30N2O5/c1-7-9-25-18(23)20-14(10-12(3)4)16(21)19-15(11-13(5)6)17(22)24-8-2/h1,12-15H,8-11H2,2-6H3,(H,19,21)(H,20,23)
InChIKey WJTBZHMLYXQVSL-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C18H30N2O5
Exact Mass 354.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yd2fD5Qp9w
Name L-Leucyl-L-leucine, N-propargyloxycarbonyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.215472069 u
Formula C18H30N2O5
InChI InChI=1S/C18H30N2O5/c1-7-9-25-18(23)20-14(10-12(3)4)16(21)19-15(11-13(5)6)17(22)24-8-2/h1,12-15H,8-11H2,2-6H3,(H,19,21)(H,20,23)
InChIKey WJTBZHMLYXQVSL-UHFFFAOYSA-N
Molecular Weight 354.447 g/mol
SMILES C#CCOC(NC(C(NC(C(OCC)=O)CC(C)C)=O)CC(C)C)=O