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L-Valyl-L-valine, N-pentafluoropropionyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Valyl-L-valine, N-pentafluoropropionyl-, octyl ester
SpectraBase Compound ID 2373qX5JZie
InChI InChI=1S/C21H35F5N2O4/c1-6-7-8-9-10-11-12-32-18(30)16(14(4)5)27-17(29)15(13(2)3)28-19(31)20(22,23)21(24,25)26/h13-16H,6-12H2,1-5H3,(H,27,29)(H,28,31)
InChIKey DSDIUAOSDKTVIL-UHFFFAOYSA-N
Mol Weight 474.5 g/mol
Molecular Formula C21H35F5N2O4
Exact Mass 474.251698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7BEVi98f2mH
Name L-Valyl-L-valine, N-pentafluoropropionyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.251698426 u
Formula C21H35F5N2O4
InChI InChI=1S/C21H35F5N2O4/c1-6-7-8-9-10-11-12-32-18(30)16(14(4)5)27-17(29)15(13(2)3)28-19(31)20(22,23)21(24,25)26/h13-16H,6-12H2,1-5H3,(H,27,29)(H,28,31)
InChIKey DSDIUAOSDKTVIL-UHFFFAOYSA-N
Molecular Weight 474.513 g/mol
SMILES CCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O)C(C)C)=O