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L-Leucine, N-(2,6-difluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID AfvK97ejbAs
InChI InChI=1S/C27H43F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-33-27(32)24(20-21(2)3)30-26(31)25-22(28)17-16-18-23(25)29/h16-18,21,24H,4-15,19-20H2,1-3H3,(H,30,31)
InChIKey HUUAVHBDHXPUFH-UHFFFAOYSA-N
Mol Weight 467.6 g/mol
Molecular Formula C27H43F2NO3
Exact Mass 467.321101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VxwnPklSiz
Name L-Leucine, N-(2,6-difluorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 467.321100572 u
Formula C27H43F2NO3
InChI InChI=1S/C27H43F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-33-27(32)24(20-21(2)3)30-26(31)25-22(28)17-16-18-23(25)29/h16-18,21,24H,4-15,19-20H2,1-3H3,(H,30,31)
InChIKey HUUAVHBDHXPUFH-UHFFFAOYSA-N
Molecular Weight 467.642 g/mol
SMILES C1(=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCC)=O)CC(C)C)=O)F)F