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4-(1,1-difluoro-5-phenyl-pentyl)-N,N-diphenyl-aniline
SpectraBase Compound ID B4VyKSyPEo0
InChI InChI=1S/C29H27F2N/c30-29(31,23-11-10-14-24-12-4-1-5-13-24)25-19-21-28(22-20-25)32(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-9,12-13,15-22H,10-11,14,23H2
InChIKey FACYFANXSXXOFL-UHFFFAOYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C29H27F2N
Exact Mass 427.211156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOD0q14W9GD
Name 4-(1,1-difluoro-5-phenyl-pentyl)-N,N-diphenyl-aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.211156199 u
Formula C29H27F2N
InChI InChI=1S/C29H27F2N/c30-29(31,23-11-10-14-24-12-4-1-5-13-24)25-19-21-28(22-20-25)32(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-9,12-13,15-22H,10-11,14,23H2
InChIKey FACYFANXSXXOFL-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201601351
Molecular Weight 427.539 g/mol
Quality 180
SMILES C(C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)(CCCCC1=CC=CC=C1)(F)F
SPLASH splash10-004i-1250900000-e7463fd1b44356a410ac
Source of Spectrum ACI-55-SM138-3e (DOI: 10.1002/anie.201601351)
Wiley ID 1897422