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2-Methyl-6-undecyl-1-(2-phenyl-2-methoxy-3,3,3-trifluoro-1-oxopropyl)piperidine

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2-Methyl-6-undecyl-1-(2-phenyl-2-methoxy-3,3,3-trifluoro-1-oxopropyl)piperidine
SpectraBase Compound ID Bpb3niLIAe1
InChI InChI=1S/C27H42F3NO2/c1-4-5-6-7-8-9-10-11-15-20-24-21-16-17-22(2)31(24)25(32)26(33-3,27(28,29)30)23-18-13-12-14-19-23/h12-14,18-19,22,24H,4-11,15-17,20-21H2,1-3H3/t22-,24-,26-/m0/s1
InChIKey VYLUHNGOQUTMMB-GVUKDKGQSA-N
Mol Weight 469.6 g/mol
Molecular Formula C27H42F3NO2
Exact Mass 469.316764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DsilgyN4rgg
Name 2-Methyl-6-undecyl-1-(2-phenyl-2-methoxy-3,3,3-trifluoro-1-oxopropyl)piperidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.316764083 u
Formula C27H42F3NO2
InChI InChI=1S/C27H42F3NO2/c1-4-5-6-7-8-9-10-11-15-20-24-21-16-17-22(2)31(24)25(32)26(33-3,27(28,29)30)23-18-13-12-14-19-23/h12-14,18-19,22,24H,4-11,15-17,20-21H2,1-3H3/t22-,24-,26-/m0/s1
InChIKey VYLUHNGOQUTMMB-GVUKDKGQSA-N
Molecular Weight 469.633 g/mol
SMILES C([C@](C(F)(F)F)(C1=CC=CC=C1)OC)(N1[C@](CCC[C@@]1(CCCCCCCCCCC)[H])(C)[H])=O