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

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-propoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 3qr5zUXkqBM
InChI InChI=1S/C27H52N2O5/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-22-33-26(31)24(4)28(5)25(30)23(3)29(6)27(32)34-21-8-2/h23-24H,7-22H2,1-6H3
InChIKey KCVLORJPFSUFSR-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C27H52N2O5
Exact Mass 484.387623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GE64E8kYyXA
Name Alanylalanine, N,N'-dimethyl-N'-propoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.387622777 u
Formula C27H52N2O5
InChI InChI=1S/C27H52N2O5/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-22-33-26(31)24(4)28(5)25(30)23(3)29(6)27(32)34-21-8-2/h23-24H,7-22H2,1-6H3
InChIKey KCVLORJPFSUFSR-UHFFFAOYSA-N
Molecular Weight 484.722 g/mol
SMILES CCCOC(N(C(C(N(C(C(OCCCCCCCCCCCCCCC)=O)C)C)=O)C)C)=O