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L-Leucine. N-(3-fluorobenzoyl)-, hexyl ester
SpectraBase Compound ID SUEgU3udAV
InChI InChI=1S/C19H28FNO3/c1-4-5-6-7-11-24-19(23)17(12-14(2)3)21-18(22)15-9-8-10-16(20)13-15/h8-10,13-14,17H,4-7,11-12H2,1-3H3,(H,21,22)
InChIKey IQZULSCFOVXDTM-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 8yjqFayw2vT
Name L-Leucine. N-(3-fluorobenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 337.205321926 u
Formula C19H28FNO3
InChI InChI=1S/C19H28FNO3/c1-4-5-6-7-11-24-19(23)17(12-14(2)3)21-18(22)15-9-8-10-16(20)13-15/h8-10,13-14,17H,4-7,11-12H2,1-3H3,(H,21,22)
InChIKey IQZULSCFOVXDTM-UHFFFAOYSA-N
Molecular Weight 337.435 g/mol
SMILES C1=C(C=CC=C1C(NC(C(OCCCCCC)=O)CC(C)C)=O)F