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(2,4-Dimethyl-1-oxypyridin-3-yl)-4-{3-{3-methyl-4-[1-(4-trifluoromethylphenyl)ethyl]piperazin-1-yl}piperidine-1-yl)methanone

View entire compound with spectra: 1 MS (GC)

(2,4-Dimethyl-1-oxypyridin-3-yl)-4-{3-{3-methyl-4-[1-(4-trifluoromethylphenyl)ethyl]piperazin-1-yl}piperidine-1-yl)methanone
SpectraBase Compound ID 2Vt4KpYPJvH
InChI InChI=1S/C27H35F3N4O2/c1-18-9-14-34(36)21(4)25(18)26(35)31-12-10-24(11-13-31)32-15-16-33(19(2)17-32)20(3)22-5-7-23(8-6-22)27(28,29)30/h5-9,14,19-20,24H,10-13,15-17H2,1-4H3/t19-,20-/m0/s1
InChIKey AGQLRWWPRLOCTH-PMACEKPBSA-N
Mol Weight 504.6 g/mol
Molecular Formula C27H35F3N4O2
Exact Mass 504.271211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yyeOOqos2z
Name (2,4-Dimethyl-1-oxypyridin-3-yl)-4-{3-{3-methyl-4-[1-(4-trifluoromethylphenyl)ethyl]piperazin-1-yl}piperidine-1-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35F3N4O2
InChI InChI=1S/C27H35F3N4O2/c1-18-9-14-34(36)21(4)25(18)26(35)31-12-10-24(11-13-31)32-15-16-33(19(2)17-32)20(3)22-5-7-23(8-6-22)27(28,29)30/h5-9,14,19-20,24H,10-13,15-17H2,1-4H3/t19-,20-/m0/s1
InChIKey AGQLRWWPRLOCTH-PMACEKPBSA-N
Molecular Weight 504.598 g/mol
SMILES c1(C(N2CCC(N3C[C@](C)(N(CC3)[C@](c3ccc(C(F)(F)F)cc3)(C)[H])[H])CC2)=O)c([n+]([O-])ccc1C)C
SPLASH splash10-0040-0932700000-2c62091d6336f3c48a3b
Source of Spectrum KC-61-1285-1
Wiley ID 1627513