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L-Isoleucyl-L-leucine-, N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

L-Isoleucyl-L-leucine-, N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID J9dJlR0D0F1
InChI InChI=1S/C16H27F3N2O5/c1-6-10(4)12(21-15(24)25-5)13(22)20-11(7-9(2)3)14(23)26-8-16(17,18)19/h9-12H,6-8H2,1-5H3,(H,20,22)(H,21,24)
InChIKey VYNWQEOQWSNXAQ-UHFFFAOYSA-N
Mol Weight 384.4 g/mol
Molecular Formula C16H27F3N2O5
Exact Mass 384.187206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgDVRmweIEI
Name L-Isoleucyl-L-leucine-, N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.187206461 u
Formula C16H27F3N2O5
InChI InChI=1S/C16H27F3N2O5/c1-6-10(4)12(21-15(24)25-5)13(22)20-11(7-9(2)3)14(23)26-8-16(17,18)19/h9-12H,6-8H2,1-5H3,(H,20,22)(H,21,24)
InChIKey VYNWQEOQWSNXAQ-UHFFFAOYSA-N
Molecular Weight 384.396 g/mol
SMILES COC(=O)NC(C(=O)NC(C(OCC(F)(F)F)=O)CC(C)C)C(CC)C