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L-Leucyl-L-leucine, N-methoxycarbonyl-, 2,2,3,3,3-pentafluoropropyl ester

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L-Leucyl-L-leucine, N-methoxycarbonyl-, 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID 1JIYGtiqlom
InChI InChI=1S/C17H27F5N2O5/c1-9(2)6-11(24-15(27)28-5)13(25)23-12(7-10(3)4)14(26)29-8-16(18,19)17(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,25)(H,24,27)
InChIKey MWGOFOHEKZJIAI-UHFFFAOYSA-N
Mol Weight 434.4 g/mol
Molecular Formula C17H27F5N2O5
Exact Mass 434.184013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3zbECbkcwC
Name L-Leucyl-L-leucine, N-methoxycarbonyl-, 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.184012787 u
Formula C17H27F5N2O5
InChI InChI=1S/C17H27F5N2O5/c1-9(2)6-11(24-15(27)28-5)13(25)23-12(7-10(3)4)14(26)29-8-16(18,19)17(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,25)(H,24,27)
InChIKey MWGOFOHEKZJIAI-UHFFFAOYSA-N
Molecular Weight 434.404 g/mol
SMILES C(C(NC(C(CC(C)C)NC(OC)=O)=O)CC(C)C)(OCC(C(F)(F)F)(F)F)=O