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Alanylalanine, N,N'-dimethyl-N'-propoxycarbonyl-, isohexyl ester

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Alanylalanine, N,N'-dimethyl-N'-propoxycarbonyl-, isohexyl ester
SpectraBase Compound ID Fm3kyEXnCqV
InChI InChI=1S/C18H34N2O5/c1-8-11-25-18(23)20(7)14(4)16(21)19(6)15(5)17(22)24-12-9-10-13(2)3/h13-15H,8-12H2,1-7H3
InChIKey SWDKNBHCFOKGID-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C18H34N2O5
Exact Mass 358.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1A3rJqbnWG
Name Alanylalanine, N,N'-dimethyl-N'-propoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 358.246772198 u
Formula C18H34N2O5
InChI InChI=1S/C18H34N2O5/c1-8-11-25-18(23)20(7)14(4)16(21)19(6)15(5)17(22)24-12-9-10-13(2)3/h13-15H,8-12H2,1-7H3
InChIKey SWDKNBHCFOKGID-UHFFFAOYSA-N
Molecular Weight 358.479 g/mol
SMILES CCCOC(N(C(C(N(C(C(OCCCC(C)C)=O)C)C)=O)C)C)=O