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L-Leucine,N-pentafluorobenzoyl-, butyl ester

View entire compound with spectra: 1 NMR

L-Leucine,N-pentafluorobenzoyl-, butyl ester
SpectraBase Compound ID HxnivbeW9Cy
InChI InChI=1S/C17H20F5NO3/c1-4-5-6-26-17(25)9(7-8(2)3)23-16(24)10-11(18)13(20)15(22)14(21)12(10)19/h8-9H,4-7H2,1-3H3,(H,23,24)
InChIKey QFLMZSYTRYQUIQ-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 K2c03ZU1q9w
Name L-Leucine,N-pentafluorobenzoyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.136334320 u
Formula C17H20F5NO3
InChI InChI=1S/C17H20F5NO3/c1-4-5-6-26-17(25)9(7-8(2)3)23-16(24)10-11(18)13(20)15(22)14(21)12(10)19/h8-9H,4-7H2,1-3H3,(H,23,24)
InChIKey QFLMZSYTRYQUIQ-UHFFFAOYSA-N
Molecular Weight 381.343 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)C(NC(C(OCCCC)=O)CC(C)C)=O)F)F