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L-Valine, N-pentafluorobenzoyl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, heptyl ester
SpectraBase Compound ID DUWoOFcoA53
InChI InChI=1S/C19H24F5NO3/c1-4-5-6-7-8-9-28-19(27)17(10(2)3)25-18(26)11-12(20)14(22)16(24)15(23)13(11)21/h10,17H,4-9H2,1-3H3,(H,25,26)
InChIKey JDVCMUPEXLLOPF-UHFFFAOYSA-N
Mol Weight 409.4 g/mol
Molecular Formula C19H24F5NO3
Exact Mass 409.167634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkR6id5jWxR
Name L-Valine, N-pentafluorobenzoyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.167634449 u
Formula C19H24F5NO3
InChI InChI=1S/C19H24F5NO3/c1-4-5-6-7-8-9-28-19(27)17(10(2)3)25-18(26)11-12(20)14(22)16(24)15(23)13(11)21/h10,17H,4-9H2,1-3H3,(H,25,26)
InChIKey JDVCMUPEXLLOPF-UHFFFAOYSA-N
Molecular Weight 409.397 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCC)F)F)F