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3-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}propan-1-amine, 2tms

View entire compound with spectra: 1 NMR

3-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}propan-1-amine, 2tms
SpectraBase Compound ID 357lIMlUpP1
InChI InChI=1S/C20H36F3N3Si2/c1-27(2,3)26(28(4,5)6)12-8-11-24-13-15-25(16-14-24)19-10-7-9-18(17-19)20(21,22)23/h7,9-10,17H,8,11-16H2,1-6H3
InChIKey UCGNZYIPIYQFPO-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C20H36F3N3Si2
Exact Mass 431.239986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fQijQuJ9JA
Name 3-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}propan-1-amine, 2tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.239985730 u
Formula C20H36F3N3Si2
InChI InChI=1S/C20H36F3N3Si2/c1-27(2,3)26(28(4,5)6)12-8-11-24-13-15-25(16-14-24)19-10-7-9-18(17-19)20(21,22)23/h7,9-10,17H,8,11-16H2,1-6H3
InChIKey UCGNZYIPIYQFPO-UHFFFAOYSA-N
Molecular Weight 431.694 g/mol
SMILES C(F)(F)(F)C1=CC(=CC=C1)N1CCN(CC1)CCCN([Si](C)(C)C)[Si](C)(C)C