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L-Leucine, N-heptafluorobutyryl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-heptafluorobutyryl-, dodecyl ester
SpectraBase Compound ID H5BpPgKuBUS
InChI InChI=1S/C22H36F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-33-18(31)17(15-16(2)3)30-19(32)20(23,24)21(25,26)22(27,28)29/h16-17H,4-15H2,1-3H3,(H,30,32)
InChIKey LQGCHSLGQVKGST-UHFFFAOYSA-N
Mol Weight 495.5 g/mol
Molecular Formula C22H36F7NO3
Exact Mass 495.258341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gKkTbXvKoW
Name L-Leucine, N-heptafluorobutyryl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 495.258341161 u
Formula C22H36F7NO3
InChI InChI=1S/C22H36F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-33-18(31)17(15-16(2)3)30-19(32)20(23,24)21(25,26)22(27,28)29/h16-17H,4-15H2,1-3H3,(H,30,32)
InChIKey LQGCHSLGQVKGST-UHFFFAOYSA-N
Molecular Weight 495.523 g/mol
SMILES CCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O