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Alanylalanine, N,N'-dimethyl-N'-benzyloxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-benzyloxycarbonyl-, hexyl ester
SpectraBase Compound ID CCsSMXrg1bg
InChI InChI=1S/C22H34N2O5/c1-6-7-8-12-15-28-21(26)18(3)23(4)20(25)17(2)24(5)22(27)29-16-19-13-10-9-11-14-19/h9-11,13-14,17-18H,6-8,12,15-16H2,1-5H3
InChIKey CLJKDCDNLMOMNM-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C22H34N2O5
Exact Mass 406.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HD24NRxCbNL
Name Alanylalanine, N,N'-dimethyl-N'-benzyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.246772198 u
Formula C22H34N2O5
InChI InChI=1S/C22H34N2O5/c1-6-7-8-12-15-28-21(26)18(3)23(4)20(25)17(2)24(5)22(27)29-16-19-13-10-9-11-14-19/h9-11,13-14,17-18H,6-8,12,15-16H2,1-5H3
InChIKey CLJKDCDNLMOMNM-UHFFFAOYSA-N
Molecular Weight 406.523 g/mol
SMILES C1=CC=CC(=C1)COC(N(C(C(N(C(C(OCCCCCC)=O)C)C)=O)C)C)=O