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Alanylalanine, N,N'-dimethyl-N'-propargyloxycarbonyl-, pentyl ester
SpectraBase Compound ID HBA9aSMFrXY
InChI InChI=1S/C17H28N2O5/c1-7-9-10-12-23-16(21)14(4)18(5)15(20)13(3)19(6)17(22)24-11-8-2/h2,13-14H,7,9-12H2,1,3-6H3
InChIKey NKFXYTMWCZFAJS-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C17H28N2O5
Exact Mass 340.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E08X1AfN7Qg
Name Alanylalanine, N,N'-dimethyl-N'-propargyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.199822005 u
Formula C17H28N2O5
InChI InChI=1S/C17H28N2O5/c1-7-9-10-12-23-16(21)14(4)18(5)15(20)13(3)19(6)17(22)24-11-8-2/h2,13-14H,7,9-12H2,1,3-6H3
InChIKey NKFXYTMWCZFAJS-UHFFFAOYSA-N
Molecular Weight 340.420 g/mol
SMILES C#CCOC(N(C)C(C(N(C(C(OCCCCC)=O)C)C)=O)C)=O