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L-Leucine, N-pentafluorobenzoyl-, pentyl ester
SpectraBase Compound ID 3Vfu0eap78c
InChI InChI=1S/C18H22F5NO3/c1-4-5-6-7-27-18(26)10(8-9(2)3)24-17(25)11-12(19)14(21)16(23)15(22)13(11)20/h9-10H,4-8H2,1-3H3,(H,24,25)
InChIKey GETOLJYFUNPEBK-UHFFFAOYSA-N
Mol Weight 395.37 g/mol
Molecular Formula C18H22F5NO3
Exact Mass 395.151984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcEQFHTuyjt
Name L-Leucine, N-pentafluorobenzoyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 395.151984384 u
Formula C18H22F5NO3
InChI InChI=1S/C18H22F5NO3/c1-4-5-6-7-27-18(26)10(8-9(2)3)24-17(25)11-12(19)14(21)16(23)15(22)13(11)20/h9-10H,4-8H2,1-3H3,(H,24,25)
InChIKey GETOLJYFUNPEBK-UHFFFAOYSA-N
Molecular Weight 395.370 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(C(OCCCCC)=O)CC(C)C)=O)F)F)F)F)F