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D-Norleucyl-D-norleucine, N-(2-chloroethoxycarbonyl)-, 2-chloroethyl ester

View entire compound with spectra: 1 NMR

D-Norleucyl-D-norleucine, N-(2-chloroethoxycarbonyl)-, 2-chloroethyl ester
SpectraBase Compound ID E2CNwAybakP
InChI InChI=1S/C17H30Cl2N2O5/c1-3-5-7-13(21-17(24)26-12-10-19)15(22)20-14(8-6-4-2)16(23)25-11-9-18/h13-14H,3-12H2,1-2H3,(H,20,22)(H,21,24)
InChIKey OESYQCSFUSUALV-UHFFFAOYSA-N
Mol Weight 413.34 g/mol
Molecular Formula C17H30Cl2N2O5
Exact Mass 412.153177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ylniItCmGF
Name D-Norleucyl-D-norleucine, N-(2-chloroethoxycarbonyl)-, 2-chloroethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.153177469 u
Formula C17H30Cl2N2O5
InChI InChI=1S/C17H30Cl2N2O5/c1-3-5-7-13(21-17(24)26-12-10-19)15(22)20-14(8-6-4-2)16(23)25-11-9-18/h13-14H,3-12H2,1-2H3,(H,20,22)(H,21,24)
InChIKey OESYQCSFUSUALV-UHFFFAOYSA-N
Molecular Weight 413.342 g/mol
SMILES C(COC(=O)C(NC(C(NC(OCCCl)=O)CCCC)=O)CCCC)Cl