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(2R,4S)-4-(4-chloroanilino)-2-(trifluoromethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester
SpectraBase Compound ID 85nEFa8vWX2
InChI InChI=1S/C20H20ClF3N2O2/c21-15-6-8-16(9-7-15)25-17-10-11-26(18(12-17)20(22,23)24)19(27)28-13-14-4-2-1-3-5-14/h1-9,17-18,25H,10-13H2/t17-,18+/m0/s1
InChIKey LBBZGUKYDUPMOA-ZWKOTPCHSA-N
Mol Weight 412.84 g/mol
Molecular Formula C20H20ClF3N2O2
Exact Mass 412.11654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PIeMEjYbk7
Name (2R,4S)-4-(4-chloroanilino)-2-(trifluoromethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester
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Formula C20H20ClF3N2O2
InChI InChI=1S/C20H20ClF3N2O2/c21-15-6-8-16(9-7-15)25-17-10-11-26(18(12-17)20(22,23)24)19(27)28-13-14-4-2-1-3-5-14/h1-9,17-18,25H,10-13H2/t17-,18+/m0/s1
InChIKey LBBZGUKYDUPMOA-ZWKOTPCHSA-N
Molecular Weight 412.840 g/mol
SMILES N([C@]1(CCN([C@@](C(F)(F)F)(C1)[H])C(OCc1ccccc1)=O)[H])c1ccc(cc1)Cl
SPLASH splash10-0006-9000200000-1e3049ee7f434b058848
Source of Spectrum K1-0-3428-17
Synonyms (2R,4S)-4-(4-chloroanilino)-2-(trifluoromethyl)piperidine-1-carboxylic acid benzyl ester (phenylmethyl) (2R,4S)-4-[(4-chlorophenyl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate benzyl (2R,4S)-4-(4-chloroanilino)-2-(trifluoromethyl)piperidine-1-carboxylate
Wiley ID 1589228