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

View entire compound with spectra: 1 NMR

L-Valyl-L-valine, N-pentafluoropropionyl-, pentadecyl ester
SpectraBase Compound ID 5GaPsS6cp33
InChI InChI=1S/C28H49F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-39-25(37)23(21(4)5)34-24(36)22(20(2)3)35-26(38)27(29,30)28(31,32)33/h20-23H,6-19H2,1-5H3,(H,34,36)(H,35,38)
InChIKey JLTVUMQZAQJKNQ-UHFFFAOYSA-N
Mol Weight 572.7 g/mol
Molecular Formula C28H49F5N2O4
Exact Mass 572.361249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXwjvlMJxQX
Name L-Valyl-L-valine, N-pentafluoropropionyl-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.361248877 u
Formula C28H49F5N2O4
InChI InChI=1S/C28H49F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-39-25(37)23(21(4)5)34-24(36)22(20(2)3)35-26(38)27(29,30)28(31,32)33/h20-23H,6-19H2,1-5H3,(H,34,36)(H,35,38)
InChIKey JLTVUMQZAQJKNQ-UHFFFAOYSA-N
Molecular Weight 572.702 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O)C(C)C)=O