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L-Isoleucyl-L-alanine, N-methoxycarbonyl-, 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

L-Isoleucyl-L-alanine, N-methoxycarbonyl-, 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID C3nKLT9G6i0
InChI InChI=1S/C14H21F5N2O5/c1-5-7(2)9(21-12(24)25-4)10(22)20-8(3)11(23)26-6-13(15,16)14(17,18)19/h7-9H,5-6H2,1-4H3,(H,20,22)(H,21,24)
InChIKey ZKJSTAOMLIDJJL-UHFFFAOYSA-N
Mol Weight 392.32 g/mol
Molecular Formula C14H21F5N2O5
Exact Mass 392.137063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H73ljfLRXh5
Name L-Isoleucyl-L-alanine, 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 392.137062594 u
Formula C14H21F5N2O5
InChI InChI=1S/C14H21F5N2O5/c1-5-7(2)9(21-12(24)25-4)10(22)20-8(3)11(23)26-6-13(15,16)14(17,18)19/h7-9H,5-6H2,1-4H3,(H,20,22)(H,21,24)
InChIKey ZKJSTAOMLIDJJL-UHFFFAOYSA-N
Molecular Weight 392.323 g/mol
SMILES C(C(NC(=O)C(C(CC)C)NC(OC)=O)C)(OCC(C(F)(F)F)(F)F)=O