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Alanylalanine, N,N'dimethyl-N-allyloxycarbonyl-, tetradecyl ester
SpectraBase Compound ID FJ0DUTVXZtb
InChI InChI=1S/C26H48N2O5/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/h8,22-23H,2,7,9-21H2,1,3-6H3
InChIKey LXNCOMVBJZLKDG-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C26H48N2O5
Exact Mass 468.356323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wrdjtPfdi4
Name Alanylalanine, N,N'dimethyl-N-allyloxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.356322649 u
Formula C26H48N2O5
InChI InChI=1S/C26H48N2O5/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/h8,22-23H,2,7,9-21H2,1,3-6H3
InChIKey LXNCOMVBJZLKDG-UHFFFAOYSA-N
Molecular Weight 468.679 g/mol
SMILES C=CCOC(N(C(C(N(C(C(OCCCCCCCCCCCCCC)=O)C)C)=O)C)C)=O