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1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)allyl]piperazine
SpectraBase Compound ID 2kRwsT1gjwX
InChI InChI=1S/C28H30F2N2O2/c1-33-26-14-5-21(20-27(26)34-2)4-3-15-31-16-18-32(19-17-31)28(22-6-10-24(29)11-7-22)23-8-12-25(30)13-9-23/h3-14,20,28H,15-19H2,1-2H3/b4-3+
InChIKey CELDOXOGIZIYPY-ONEGZZNKSA-N
Mol Weight 464.56 g/mol
Molecular Formula C28H30F2N2O2
Exact Mass 464.227535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cj9mDpSgRiQ
Name 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)allyl]piperazine
Alternate Name(s) 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30F2N2O2
InChI InChI=1S/C28H30F2N2O2/c1-33-26-14-5-21(20-27(26)34-2)4-3-15-31-16-18-32(19-17-31)28(22-6-10-24(29)11-7-22)23-8-12-25(30)13-9-23/h3-14,20,28H,15-19H2,1-2H3/b4-3+
InChIKey CELDOXOGIZIYPY-ONEGZZNKSA-N
Molecular Weight 464.557 g/mol
SMILES C(N1CCN(CC1)C\C=C\c1cc(OC)c(cc1)OC)(c1ccc(cc1)F)c1ccc(cc1)F
SPLASH splash10-03di-0390000000-2cd3fef373387bbdefb9
Source of Spectrum JC-497-299-3
Wiley ID 1391574