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Decanoic acid (4'-chloro-6-methoxybiphen-3-ylmethyl)-(4-cyano-4,4-diphenylbutyl)amide
SpectraBase Compound ID 8njbkhzUBit
InChI InChI=1S/C41H47ClN2O2/c1-3-4-5-6-7-8-15-21-40(45)44(31-33-22-27-39(46-2)38(30-33)34-23-25-37(42)26-24-34)29-16-28-41(32-43,35-17-11-9-12-18-35)36-19-13-10-14-20-36/h9-14,17-20,22-27,30H,3-8,15-16,21,28-29,31H2,1-2H3
InChIKey RWFNPGBZCGJGQQ-UHFFFAOYSA-N
Mol Weight 635.3 g/mol
Molecular Formula C41H47ClN2O2
Exact Mass 634.332606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B26IvJjRMv2
Name Decanoic acid (4'-chloro-6-methoxybiphen-3-ylmethyl)-(4-cyano-4,4-diphenylbutyl)amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H47ClN2O2
InChI InChI=1S/C41H47ClN2O2/c1-3-4-5-6-7-8-15-21-40(45)44(31-33-22-27-39(46-2)38(30-33)34-23-25-37(42)26-24-34)29-16-28-41(32-43,35-17-11-9-12-18-35)36-19-13-10-14-20-36/h9-14,17-20,22-27,30H,3-8,15-16,21,28-29,31H2,1-2H3
InChIKey RWFNPGBZCGJGQQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201300369
Molecular Weight 635.292 g/mol
SMILES c1(ccc(-c2c(ccc(CN(C(=O)CCCCCCCCC)CCCC(C#N)(c3ccccc3)c3ccccc3)c2)OC)cc1)Cl
SPLASH splash10-001i-0090103000-f2517421ba427ad81603
Source of Spectrum CMC-9-166-28a
Synonyms N-((4'-chloro-6-methoxy-[1,1'-biphenyl]-3-yl)methyl)-N-(4-cyano-4,4-diphenylbutyl)decanamide N-[[3-(4-chlorophenyl)-4-methoxyphenyl]methyl]-N-(4-cyano-4,4-diphenylbutyl)decanamide N-[[3-(4-chlorophenyl)-4-methoxy-phenyl]methyl]-N-(4-cyano-4,4-diphenyl-butyl)decanamide
Wiley ID 1772943