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

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L-Valyl-L-valine, N-pentafluoropropionyl-, tetradecyl ester
SpectraBase Compound ID BOypXHs5tNF
InChI InChI=1S/C27H47F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-38-24(36)22(20(4)5)33-23(35)21(19(2)3)34-25(37)26(28,29)27(30,31)32/h19-22H,6-18H2,1-5H3,(H,33,35)(H,34,37)
InChIKey WSEZABHQPILVLA-UHFFFAOYSA-N
Mol Weight 558.7 g/mol
Molecular Formula C27H47F5N2O4
Exact Mass 558.345599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C61WLJ7nORK
Name L-Valyl-L-valine, N-pentafluoropropionyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.345598812 u
Formula C27H47F5N2O4
InChI InChI=1S/C27H47F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-38-24(36)22(20(4)5)33-23(35)21(19(2)3)34-25(37)26(28,29)27(30,31)32/h19-22H,6-18H2,1-5H3,(H,33,35)(H,34,37)
InChIKey WSEZABHQPILVLA-UHFFFAOYSA-N
Molecular Weight 558.675 g/mol
SMILES C(CCCCCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O)C(C)C)=O)CC