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

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L-Valyl-L-valine, N-pentafluoropropionyl-, undecyl ester
SpectraBase Compound ID 9kFoODaLm17
InChI InChI=1S/C24H41F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-35-21(33)19(17(4)5)30-20(32)18(16(2)3)31-22(34)23(25,26)24(27,28)29/h16-19H,6-15H2,1-5H3,(H,30,32)(H,31,34)
InChIKey FTRHLNSWJFMCPU-UHFFFAOYSA-N
Mol Weight 516.6 g/mol
Molecular Formula C24H41F5N2O4
Exact Mass 516.298649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYwS31MAo9W
Name L-Valyl-L-valine, N-pentafluoropropionyl-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.298648619 u
Formula C24H41F5N2O4
InChI InChI=1S/C24H41F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-35-21(33)19(17(4)5)30-20(32)18(16(2)3)31-22(34)23(25,26)24(27,28)29/h16-19H,6-15H2,1-5H3,(H,30,32)(H,31,34)
InChIKey FTRHLNSWJFMCPU-UHFFFAOYSA-N
Molecular Weight 516.594 g/mol
SMILES C(C(F)(C(NC(C(NC(C(OCCCCCCCCCCC)=O)C(C)C)=O)C(C)C)=O)F)(F)(F)F