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5-[(2',6'-Dichloro-6-methoxybiphen-3-ylmethyl)amino]-2,2-diphenylpentanenitrile
SpectraBase Compound ID 7UrTvP3v19G
InChI InChI=1S/C31H28Cl2N2O/c1-36-29-17-16-23(20-26(29)30-27(32)14-8-15-28(30)33)21-35-19-9-18-31(22-34,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-8,10-17,20,35H,9,18-19,21H2,1H3
InChIKey HLFZHMUEDFKXAL-UHFFFAOYSA-N
Mol Weight 515.48 g/mol
Molecular Formula C31H28Cl2N2O
Exact Mass 514.157869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsDHQhxFpw0
Name 5-[(2',6'-Dichloro-6-methoxybiphen-3-ylmethyl)amino]-2,2-diphenylpentanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28Cl2N2O
InChI InChI=1S/C31H28Cl2N2O/c1-36-29-17-16-23(20-26(29)30-27(32)14-8-15-28(30)33)21-35-19-9-18-31(22-34,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-8,10-17,20,35H,9,18-19,21H2,1H3
InChIKey HLFZHMUEDFKXAL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201300369
Molecular Weight 515.484 g/mol
SMILES N(Cc1cc(c(cc1)OC)-c1c(cccc1Cl)Cl)CCCC(c1ccccc1)(c1ccccc1)C#N
SPLASH splash10-014i-0690010000-2953770ec4a6b95fb96a
Source of Spectrum CMC-9-166-28d
Synonyms 5-(((2',6'-dichloro-6-methoxy-[1,1'-biphenyl]-3-yl)methyl)amino)-2,2-diphenylpentanenitrile 5-[[3-(2,6-dichlorophenyl)-4-methoxyphenyl]methylamino]-2,2-diphenylpentanenitrile 5-[[3-(2,6-dichlorophenyl)-4-methoxy-phenyl]methylamino]-2,2-diphenyl-pentanenitrile 5-[[3-[2,6-bis(chloranyl)phenyl]-4-methoxy-phenyl]methylamino]-2,2-diphenyl-pentanenitrile
Wiley ID 1772945