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N-(N-carboxy-L-valyl)-L-alanine, N-benzyl ester

View entire compound with spectra: 3 NMR, and 2 FTIR

N-(N-carboxy-L-valyl)-L-alanine, N-benzyl ester
SpectraBase Compound ID C2t77P2gRyo
InChI InChI=1S/C16H22N2O5/c1-10(2)13(14(19)17-11(3)15(20)21)18-16(22)23-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,19)(H,18,22)(H,20,21)/t11-,13-/m0/s1
InChIKey KDQLNJPBTLIYNW-AAEUAGOBSA-N
Mol Weight 322.36 g/mol
Molecular Formula C16H22N2O5
Exact Mass 322.152872 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FzeQheDbWk0
Name N-(N-CARBOXY-L-VALYL)-L-ALANINE, N-BENZYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O5
InChI InChI=1S/C16H22N2O5/c1-10(2)13(14(19)17-11(3)15(20)21)18-16(22)23-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,19)(H,18,22)(H,20,21)/t11-,13-/m0/s1
InChIKey KDQLNJPBTLIYNW-AAEUAGOBSA-N
Instrument Name BRUKER AC-300
Molecular Weight 322.36
Solvent DMSO-d6; Reference=TMS; Temperature 297K