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1-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-3-(3,3,5-trimethyl-cyclohexyloxy)-propane-2-thiol
SpectraBase Compound ID uhI3mOqYdV
InChI InChI=1S/C22H35FN2OS/c1-17-12-20(14-22(2,3)13-17)26-16-21(27)15-24-8-10-25(11-9-24)19-6-4-18(23)5-7-19/h4-7,17,20-21,27H,8-16H2,1-3H3
InChIKey BTIQAQKFOTYDAV-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C22H35FN2OS
Exact Mass 394.245413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GyJihzTdcy
Name 1-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-3-(3,3,5-trimethyl-cyclohexyloxy)-propane-2-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35FN2OS
InChI InChI=1S/C22H35FN2OS/c1-17-12-20(14-22(2,3)13-17)26-16-21(27)15-24-8-10-25(11-9-24)19-6-4-18(23)5-7-19/h4-7,17,20-21,27H,8-16H2,1-3H3
InChIKey BTIQAQKFOTYDAV-UHFFFAOYSA-N
Molecular Weight 394.593 g/mol
SMILES SC(CN1CCN(c2ccc(cc2)F)CC1)COC1CC(C)(C)CC(C1)C
SPLASH splash10-0006-1900000000-66d0291af3a64e4d890e
Synonyms 1-[4-(4-fluorophenyl)-1-piperazinyl]-3-(3,3,5-trimethylcyclohexyl)oxy-2-propanethiol 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3,3,5-trimethylcyclohexoxy)propane-2-thiol 1-[4-(4-fluorophenyl)piperazino]-3-(3,3,5-trimethylcyclohexoxy)propane-2-thiol 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3,3,5-trimethylcyclohexyl)oxypropane-2-thiol
Wiley ID 1462379