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Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, ethyl ester

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Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, ethyl ester
SpectraBase Compound ID LTq5M0ZVfJ4
InChI InChI=1S/C18H30N2O5/c1-9-11-25-18(23)20(8)14(12(3)4)16(21)19(7)15(13(5)6)17(22)24-10-2/h1,12-15H,10-11H2,2-8H3
InChIKey HMYKFDDPNDPJPB-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 5U63B0nWpet
Name Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.215472069 u
Formula C18H30N2O5
InChI InChI=1S/C18H30N2O5/c1-9-11-25-18(23)20(8)14(12(3)4)16(21)19(7)15(13(5)6)17(22)24-10-2/h1,12-15H,10-11H2,2-8H3
InChIKey HMYKFDDPNDPJPB-UHFFFAOYSA-N
Molecular Weight 354.447 g/mol
SMILES C#CCOC(N(C(C(N(C(C(C)C)C(OCC)=O)C)=O)C(C)C)C)=O