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(R,R)-(+)-N-[2-(Trifluoro-2-methoxy-2-phenylethyl)carbonyl]-2-[2-(pyridyl)heptyl)piperidinie
SpectraBase Compound ID DBT5TI0mRHZ
InChI InChI=1S/C26H39F3N2O2/c1-3-4-6-15-22(30-17-11-12-18-30)20-23-16-9-10-19-31(23)24(32)25(33-2,26(27,28)29)21-13-7-5-8-14-21/h5,7-8,13-14,22-23H,3-4,6,9-12,15-20H2,1-2H3/t22-,23+,25+/m0/s1
InChIKey MUQBAXVTXSWSIE-JBRSBNLGSA-N
Mol Weight 468.6 g/mol
Molecular Formula C26H39F3N2O2
Exact Mass 468.296363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AF14HKOBy8x
Name (R,R)-(+)-N-[2-(Trifluoro-2-methoxy-2-phenylethyl)carbonyl]-2-[2-(pyridyl)heptyl)piperidinie
Alternate Name(s) 3,3,3-Trifluoro-2-methoxy-2-(R)-phenyl-1-[(R)-2-((S)-2-pyrrolidin-1-yl-heptyl)-piperidin-1-yl]-propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H39F3N2O2
InChI InChI=1S/C26H39F3N2O2/c1-3-4-6-15-22(30-17-11-12-18-30)20-23-16-9-10-19-31(23)24(32)25(33-2,26(27,28)29)21-13-7-5-8-14-21/h5,7-8,13-14,22-23H,3-4,6,9-12,15-20H2,1-2H3/t22-,23+,25+/m0/s1
InChIKey MUQBAXVTXSWSIE-JBRSBNLGSA-N
Molecular Weight 468.605 g/mol
SMILES C([C@@](C(F)(F)F)(c1ccccc1)OC)(N1[C@@](C[C@@](N2CCCC2)(CCCCC)[H])(CCCC1)[H])=O
SPLASH splash10-0udi-0906000000-f378abebe314e6cc1ea9
Source of Spectrum F-51-1427-20
Wiley ID 790666