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Pentadecafluorooctanoylamide, N-benzyl-N-tetradecyl-
SpectraBase Compound ID Aq7stfaGyOY
InChI InChI=1S/C29H36F15NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-45(20-21-17-14-13-15-18-21)22(46)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44/h13-15,17-18H,2-12,16,19-20H2,1H3
InChIKey PBLULOFUDUIKTB-UHFFFAOYSA-N
Mol Weight 699.6 g/mol
Molecular Formula C29H36F15NO
Exact Mass 699.255737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FhXiATCcBXb
Name Pentadecafluorooctanoylamide, N-benzyl-N-tetradecyl-
Comments Computed using HOSE algorithm
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Exact Mass 699.255737227 u
Formula C29H36F15NO
InChI InChI=1S/C29H36F15NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-45(20-21-17-14-13-15-18-21)22(46)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44/h13-15,17-18H,2-12,16,19-20H2,1H3
InChIKey PBLULOFUDUIKTB-UHFFFAOYSA-N
Molecular Weight 699.589 g/mol
SMILES C1=CC=C(C=C1)CN(C(=O)C(C(F)(F)C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCCCCCCCCCC