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L-Leucine, N-pentafluorobenzoyl-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-pentafluorobenzoyl-, isohexyl ester
SpectraBase Compound ID A2sG78ZaglV
InChI InChI=1S/C19H24F5NO3/c1-9(2)6-5-7-28-19(27)11(8-10(3)4)25-18(26)12-13(20)15(22)17(24)16(23)14(12)21/h9-11H,5-8H2,1-4H3,(H,25,26)
InChIKey JJWBOVCJYKNBMS-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 LWpu2akXNny
Name L-Leucine, N-pentafluorobenzoyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.167634449 u
Formula C19H24F5NO3
InChI InChI=1S/C19H24F5NO3/c1-9(2)6-5-7-28-19(27)11(8-10(3)4)25-18(26)12-13(20)15(22)17(24)16(23)14(12)21/h9-11H,5-8H2,1-4H3,(H,25,26)
InChIKey JJWBOVCJYKNBMS-UHFFFAOYSA-N
Molecular Weight 409.397 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(C(OCCCC(C)C)=O)CC(C)C)=O)F)F)F)F)F