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L-Valine, N-pentafluorobenzoyl-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, hexadecyl ester
SpectraBase Compound ID EyHVRdPNi1g
InChI InChI=1S/C28H42F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-37-28(36)26(19(2)3)34-27(35)20-21(29)23(31)25(33)24(32)22(20)30/h19,26H,4-18H2,1-3H3,(H,34,35)
InChIKey YXVMDVKUMVXQQJ-UHFFFAOYSA-N
Mol Weight 535.6 g/mol
Molecular Formula C28H42F5NO3
Exact Mass 535.308485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkbfRJzPG3q
Name L-Valine, N-pentafluorobenzoyl-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.308485028 u
Formula C28H42F5NO3
InChI InChI=1S/C28H42F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-37-28(36)26(19(2)3)34-27(35)20-21(29)23(31)25(33)24(32)22(20)30/h19,26H,4-18H2,1-3H3,(H,34,35)
InChIKey YXVMDVKUMVXQQJ-UHFFFAOYSA-N
Molecular Weight 535.640 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCC)F)F)F