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dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(2-benzyloxyethoxycarbonyl)-, 2-benzyloxyethyl ester

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dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(2-benzyloxyethoxycarbonyl)-, 2-benzyloxyethyl ester
SpectraBase Compound ID 3eMprq8mNbM
InChI InChI=1S/C27H36N2O7/c1-21(29(4)27(32)36-18-16-34-20-24-13-9-6-10-14-24)25(30)28(3)22(2)26(31)35-17-15-33-19-23-11-7-5-8-12-23/h5-14,21-22H,15-20H2,1-4H3
InChIKey NBVKOKRCKAMKRT-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C27H36N2O7
Exact Mass 500.252252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlzVvIQwod5
Name dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(2-benzyloxyethoxycarbonyl)-, 2-benzyloxyethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.252251500 u
Formula C27H36N2O7
InChI InChI=1S/C27H36N2O7/c1-21(29(4)27(32)36-18-16-34-20-24-13-9-6-10-14-24)25(30)28(3)22(2)26(31)35-17-15-33-19-23-11-7-5-8-12-23/h5-14,21-22H,15-20H2,1-4H3
InChIKey NBVKOKRCKAMKRT-UHFFFAOYSA-N
Molecular Weight 500.592 g/mol
SMILES C(C(N(C)C(C(N(C)C(OCCOCC1=CC=CC=C1)=O)C)=O)C)(OCCOCC1=CC=CC=C1)=O