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(2-(4-(bis(4-Fluorophenyl)methyl)piperazin-1-yl)phenyl)methanol, tms

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(2-(4-(bis(4-Fluorophenyl)methyl)piperazin-1-yl)phenyl)methanol, tms
SpectraBase Compound ID 6wrzZW7UCKA
InChI InChI=1S/C27H32F2N2OSi/c1-33(2,3)32-20-23-6-4-5-7-26(23)30-16-18-31(19-17-30)27(21-8-12-24(28)13-9-21)22-10-14-25(29)15-11-22/h4-15,27H,16-20H2,1-3H3
InChIKey VWIYFJZTBRKXFC-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C27H32F2N2OSi
Exact Mass 466.225197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KV8EGv3TOsu
Name (2-(4-(bis(4-Fluorophenyl)methyl)piperazin-1-yl)phenyl)methanol, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.225196518 u
Formula C27H32F2N2OSi
InChI InChI=1S/C27H32F2N2OSi/c1-33(2,3)32-20-23-6-4-5-7-26(23)30-16-18-31(19-17-30)27(21-8-12-24(28)13-9-21)22-10-14-25(29)15-11-22/h4-15,27H,16-20H2,1-3H3
InChIKey VWIYFJZTBRKXFC-UHFFFAOYSA-N
Molecular Weight 466.648 g/mol
SMILES C1(F)=CC=C(C=C1)C(N1CCN(CC1)C1=C(C=CC=C1)CO[Si](C)(C)C)C1=CC=C(C=C1)F