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L-Leucine, N-(3-fluorobenzoyl)-, isohexyl ester
SpectraBase Compound ID K03AdaXn0BC
InChI InChI=1S/C19H28FNO3/c1-13(2)7-6-10-24-19(23)17(11-14(3)4)21-18(22)15-8-5-9-16(20)12-15/h5,8-9,12-14,17H,6-7,10-11H2,1-4H3,(H,21,22)
InChIKey XACHYABKBTWGAA-UHFFFAOYSA-N
Mol Weight 337.44 g/mol
Molecular Formula C19H28FNO3
Exact Mass 337.205322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3i5dNDEujcM
Name L-Leucine, N-(3-fluorobenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 337.205321926 u
Formula C19H28FNO3
InChI InChI=1S/C19H28FNO3/c1-13(2)7-6-10-24-19(23)17(11-14(3)4)21-18(22)15-8-5-9-16(20)12-15/h5,8-9,12-14,17H,6-7,10-11H2,1-4H3,(H,21,22)
InChIKey XACHYABKBTWGAA-UHFFFAOYSA-N
Molecular Weight 337.435 g/mol
SMILES C1=C(C=CC=C1C(NC(C(OCCCC(C)C)=O)CC(C)C)=O)F