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L-Leucine, N-pentafluorobenzoyl-, isobutyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-pentafluorobenzoyl-, isobutyl ester
SpectraBase Compound ID I2YG3Cy2oKw
InChI InChI=1S/C17H20F5NO3/c1-7(2)5-9(17(25)26-6-8(3)4)23-16(24)10-11(18)13(20)15(22)14(21)12(10)19/h7-9H,5-6H2,1-4H3,(H,23,24)
InChIKey JUIGERNVISXDOF-UHFFFAOYSA-N
Mol Weight 381.34 g/mol
Molecular Formula C17H20F5NO3
Exact Mass 381.136334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4fzoXX0sbN
Name L-Leucine, N-pentafluorobenzoyl-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.136334320 u
Formula C17H20F5NO3
InChI InChI=1S/C17H20F5NO3/c1-7(2)5-9(17(25)26-6-8(3)4)23-16(24)10-11(18)13(20)15(22)14(21)12(10)19/h7-9H,5-6H2,1-4H3,(H,23,24)
InChIKey JUIGERNVISXDOF-UHFFFAOYSA-N
Molecular Weight 381.343 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(CC(C)C)C(OCC(C)C)=O)=O)F)F)F)F)F