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Decanoic acid (4-cyano-4,4-diphenylbutyl)-(2',6'-dichloro-6-methoxybiphen-3-ylmethyl)amide
SpectraBase Compound ID CsQ8uY6B6C3
InChI InChI=1S/C41H46Cl2N2O2/c1-3-4-5-6-7-8-15-24-39(46)45(30-32-25-26-38(47-2)35(29-32)40-36(42)22-16-23-37(40)43)28-17-27-41(31-44,33-18-11-9-12-19-33)34-20-13-10-14-21-34/h9-14,16,18-23,25-26,29H,3-8,15,17,24,27-28,30H2,1-2H3
InChIKey CQLZUMWSJPKCED-UHFFFAOYSA-N
Mol Weight 669.7 g/mol
Molecular Formula C41H46Cl2N2O2
Exact Mass 668.293634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZTxictVnaY
Name Decanoic acid (4-cyano-4,4-diphenylbutyl)-(2',6'-dichloro-6-methoxybiphen-3-ylmethyl)amide
Alternate Name(s) N-(4-cyano-4,4-diphenylbutyl)-N-((2',6'-dichloro-6-methoxy-[1,1'-biphenyl]-3-yl)methyl)decanamide N-(4-cyano-4,4-diphenylbutyl)-N-[[3-(2,6-dichlorophenyl)-4-methoxyphenyl]methyl]decanamide N-(4-cyano-4,4-diphenyl-butyl)-N-[[3-(2,6-dichlorophenyl)-4-methoxy-phenyl]methyl]decanamide N-[[3-[2,6-bis(chloranyl)phenyl]-4-methoxy-phenyl]methyl]-N-(4-cyano-4,4-diphenyl-butyl)decanamide
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Formula C41H46Cl2N2O2
InChI InChI=1S/C41H46Cl2N2O2/c1-3-4-5-6-7-8-15-24-39(46)45(30-32-25-26-38(47-2)35(29-32)40-36(42)22-16-23-37(40)43)28-17-27-41(31-44,33-18-11-9-12-19-33)34-20-13-10-14-21-34/h9-14,16,18-23,25-26,29H,3-8,15,17,24,27-28,30H2,1-2H3
InChIKey CQLZUMWSJPKCED-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201300369
Molecular Weight 669.737 g/mol
SMILES c1cc(c(-c2c(ccc(CN(C(=O)CCCCCCCCC)CCCC(C#N)(c3ccccc3)c3ccccc3)c2)OC)c(c1)Cl)Cl
SPLASH splash10-014i-0090103000-19e95f540b0c62b85215
Source of Spectrum CMC-9-166-28b
Wiley ID 1772944