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L-Alanyl-L-isoleucine, N-butoxycarbonyl-, butyl ester

View entire compound with spectra: 1 NMR

L-Alanyl-L-isoleucine, N-butoxycarbonyl-, butyl ester
SpectraBase Compound ID GnrQMcDU6pV
InChI InChI=1S/C18H34N2O5/c1-6-9-11-24-17(22)15(13(4)8-3)20-16(21)14(5)19-18(23)25-12-10-7-2/h13-15H,6-12H2,1-5H3,(H,19,23)(H,20,21)
InChIKey ZCWHHSSMZYHBGS-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C18H34N2O5
Exact Mass 358.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97mUQGAwGF5
Name L-Alanyl-L-isoleucine, N-butoxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.246772198 u
Formula C18H34N2O5
InChI InChI=1S/C18H34N2O5/c1-6-9-11-24-17(22)15(13(4)8-3)20-16(21)14(5)19-18(23)25-12-10-7-2/h13-15H,6-12H2,1-5H3,(H,19,23)(H,20,21)
InChIKey ZCWHHSSMZYHBGS-UHFFFAOYSA-N
Molecular Weight 358.479 g/mol
SMILES CCCCOC(NC(C(NC(C(CC)C)C(OCCCC)=O)=O)C)=O