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L-Isoleucyl-L-isoleucine , N-ethoxycarbonyl-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Isoleucyl-L-isoleucine , N-ethoxycarbonyl-, ethyl ester
SpectraBase Compound ID Inr0u4UUQ74
InChI InChI=1S/C17H32N2O5/c1-7-11(5)13(19-17(22)24-10-4)15(20)18-14(12(6)8-2)16(21)23-9-3/h11-14H,7-10H2,1-6H3,(H,18,20)(H,19,22)
InChIKey OGZRLDGAGYIMQW-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C17H32N2O5
Exact Mass 344.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7umbKkEPHg8
Name L-Isoleucyl-L-isoleucine , N-ethoxycarbonyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.231122133 u
Formula C17H32N2O5
InChI InChI=1S/C17H32N2O5/c1-7-11(5)13(19-17(22)24-10-4)15(20)18-14(12(6)8-2)16(21)23-9-3/h11-14H,7-10H2,1-6H3,(H,18,20)(H,19,22)
InChIKey OGZRLDGAGYIMQW-UHFFFAOYSA-N
Molecular Weight 344.452 g/mol
SMILES CCOC(NC(C(NC(C(C)CC)C(OCC)=O)=O)C(C)CC)=O