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L-Leucyl-L-leucine, N-heptafluorobutyryl-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Leucyl-L-leucine, N-heptafluorobutyryl-, hexadecyl ester
SpectraBase Compound ID LgraAjWaGDB
InChI InChI=1S/C32H55F7N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-45-28(43)26(22-24(4)5)40-27(42)25(21-23(2)3)41-29(44)30(33,34)31(35,36)32(37,38)39/h23-26H,6-22H2,1-5H3,(H,40,42)(H,41,44)
InChIKey KIPKXSYILPNAOA-UHFFFAOYSA-N
Mol Weight 664.8 g/mol
Molecular Formula C32H55F7N2O4
Exact Mass 664.405005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6H6b30WhlxM
Name L-Leucyl-L-leucine, N-heptafluorobutyryl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 664.405005396 u
Formula C32H55F7N2O4
InChI InChI=1S/C32H55F7N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-45-28(43)26(22-24(4)5)40-27(42)25(21-23(2)3)41-29(44)30(33,34)31(35,36)32(37,38)39/h23-26H,6-22H2,1-5H3,(H,40,42)(H,41,44)
InChIKey KIPKXSYILPNAOA-UHFFFAOYSA-N
Molecular Weight 664.791 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O)CC(C)C)=O