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L-Valine, N-pentafluorobenzoyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, tetradecyl ester
SpectraBase Compound ID 494IR9Aip7A
InChI InChI=1S/C26H38F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-35-26(34)24(17(2)3)32-25(33)18-19(27)21(29)23(31)22(30)20(18)28/h17,24H,4-16H2,1-3H3,(H,32,33)
InChIKey MXYLGPFZTACMFT-UHFFFAOYSA-N
Mol Weight 507.6 g/mol
Molecular Formula C26H38F5NO3
Exact Mass 507.277185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8T7MQWiaot
Name L-Valine, N-pentafluorobenzoyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.277184900 u
Formula C26H38F5NO3
InChI InChI=1S/C26H38F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-35-26(34)24(17(2)3)32-25(33)18-19(27)21(29)23(31)22(30)20(18)28/h17,24H,4-16H2,1-3H3,(H,32,33)
InChIKey MXYLGPFZTACMFT-UHFFFAOYSA-N
Molecular Weight 507.586 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCCCCCCCCC)F)F)F