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L-Leucine, N-heptafluorobutyryl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-heptafluorobutyryl-, heptyl ester
SpectraBase Compound ID 1e31QRli44n
InChI InChI=1S/C17H26F7NO3/c1-4-5-6-7-8-9-28-13(26)12(10-11(2)3)25-14(27)15(18,19)16(20,21)17(22,23)24/h11-12H,4-10H2,1-3H3,(H,25,27)
InChIKey MZGMHEOMBKWFCT-UHFFFAOYSA-N
Mol Weight 425.39 g/mol
Molecular Formula C17H26F7NO3
Exact Mass 425.180091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KLphZfCMD1
Name L-Leucine, N-heptafluorobutyryl-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.180090839 u
Formula C17H26F7NO3
InChI InChI=1S/C17H26F7NO3/c1-4-5-6-7-8-9-28-13(26)12(10-11(2)3)25-14(27)15(18,19)16(20,21)17(22,23)24/h11-12H,4-10H2,1-3H3,(H,25,27)
InChIKey MZGMHEOMBKWFCT-UHFFFAOYSA-N
Molecular Weight 425.388 g/mol
SMILES C(OC(=O)C(CC(C)C)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCCCCC