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4-{3-Benzyl-2,5-dioxo-4-[1-(4-trifluoromethylphenyl)ethyl]piperazin-1-yl}piperidine-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID pXts8jIeYR
InChI InChI=1S/C30H36F3N3O4/c1-20(22-10-12-23(13-11-22)30(31,32)33)36-25(18-21-8-6-5-7-9-21)27(38)35(19-26(36)37)24-14-16-34(17-15-24)28(39)40-29(2,3)4/h5-13,20,24-25H,14-19H2,1-4H3
InChIKey JQOFEHPJEFLCBN-UHFFFAOYSA-N
Mol Weight 559.6 g/mol
Molecular Formula C30H36F3N3O4
Exact Mass 559.265791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HESiTLF66ia
Name 4-{3-Benzyl-2,5-dioxo-4-[1-(4-trifluoromethylphenyl)ethyl]piperazin-1-yl}piperidine-1-carboxylic acid tert-butyl ester
Alternate Name(s) tert-Butyl 4-(3-benzyl-2,5-dioxo-4-{1-[4-(trifluoromethyl)phenyl]ethyl}-1-piperazinyl)-1-piperidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36F3N3O4
InChI InChI=1S/C30H36F3N3O4/c1-20(22-10-12-23(13-11-22)30(31,32)33)36-25(18-21-8-6-5-7-9-21)27(38)35(19-26(36)37)24-14-16-34(17-15-24)28(39)40-29(2,3)4/h5-13,20,24-25H,14-19H2,1-4H3
InChIKey JQOFEHPJEFLCBN-UHFFFAOYSA-N
Molecular Weight 559.630 g/mol
SMILES C1N(CCC(C1)N1C(C(N(C(C1)=O)C(C)c1ccc(cc1)C(F)(F)F)Cc1ccccc1)=O)C(=O)OC(C)(C)C
SPLASH splash10-0089-9400100000-00535eb22901c3e3b120
Source of Spectrum KC-61-1285-7
Wiley ID 1627516