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L-Valine, N-pentafluorobenzoyl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, dodecyl ester
SpectraBase Compound ID Lk6TLrxo7xt
InChI InChI=1S/C24H34F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-33-24(32)22(15(2)3)30-23(31)16-17(25)19(27)21(29)20(28)18(16)26/h15,22H,4-14H2,1-3H3,(H,30,31)
InChIKey JCOMMQKSHHBFJZ-UHFFFAOYSA-N
Mol Weight 479.5 g/mol
Molecular Formula C24H34F5NO3
Exact Mass 479.245885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYeHgD6cFcM
Name L-Valine, N-pentafluorobenzoyl-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.245884771 u
Formula C24H34F5NO3
InChI InChI=1S/C24H34F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-33-24(32)22(15(2)3)30-23(31)16-17(25)19(27)21(29)20(28)18(16)26/h15,22H,4-14H2,1-3H3,(H,30,31)
InChIKey JCOMMQKSHHBFJZ-UHFFFAOYSA-N
Molecular Weight 479.532 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCCCCCCC)F)F)F