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

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-propoxycarbonyl-, tetradecyl ester
SpectraBase Compound ID 2sFsdyXiWO0
InChI InChI=1S/C26H50N2O5/c1-7-9-10-11-12-13-14-15-16-17-18-19-21-32-25(30)23(4)27(5)24(29)22(3)28(6)26(31)33-20-8-2/h22-23H,7-21H2,1-6H3
InChIKey OONNBYSABQUAKZ-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C26H50N2O5
Exact Mass 470.371973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sec1gErUOi
Name Alanylalanine, N,N'-dimethyl-N'-propoxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.371972713 u
Formula C26H50N2O5
InChI InChI=1S/C26H50N2O5/c1-7-9-10-11-12-13-14-15-16-17-18-19-21-32-25(30)23(4)27(5)24(29)22(3)28(6)26(31)33-20-8-2/h22-23H,7-21H2,1-6H3
InChIKey OONNBYSABQUAKZ-UHFFFAOYSA-N
Molecular Weight 470.695 g/mol
SMILES CCCOC(N(C(C(N(C(C(OCCCCCCCCCCCCCC)=O)C)C)=O)C)C)=O