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Hexanamide, 2-[3,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]phenyl]-
SpectraBase Compound ID KpFXiA8ICpg
InChI InChI=1S/C42H55N3O4S/c1-10-13-19-38(49-33-25-26-35(41(4,5)11-2)36(29-33)42(6,7)12-3)40(46)44-31-22-20-30(21-23-31)43-37-27-24-32(45(8)9)28-39(37)50(47,48)34-17-15-14-16-18-34/h14-18,20-29,38,43H,10-13,19H2,1-9H3,(H,44,46)
InChIKey INOJTYOGCLWUOG-UHFFFAOYSA-N
Mol Weight 698.0 g/mol
Molecular Formula C42H55N3O4S
Exact Mass 697.391328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFO18icZidJ
Name Hexanamide, 2-[3,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]phenyl]-
Alternate Name(s) 2-(3,4-di-tert-pentylphenoxy)-N-(4-((4-(dimethylamino)-2-(phenylsulfonyl)phenyl)amino)phenyl)hexanamide 2-[3,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino}phenyl)hexanamide N-[4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]phenyl]-2-[3,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide N-[4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]phenyl]-2-[3,4-bis(1,1-dimethylpropyl)phenoxy]hexanamide 2-[3,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]phenyl]hexanamide
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Formula C42H55N3O4S
InChI InChI=1S/C42H55N3O4S/c1-10-13-19-38(49-33-25-26-35(41(4,5)11-2)36(29-33)42(6,7)12-3)40(46)44-31-22-20-30(21-23-31)43-37-27-24-32(45(8)9)28-39(37)50(47,48)34-17-15-14-16-18-34/h14-18,20-29,38,43H,10-13,19H2,1-9H3,(H,44,46)
InChIKey INOJTYOGCLWUOG-UHFFFAOYSA-N
Molecular Weight 697.979 g/mol
SMILES N(c1ccc(NC(C(CCCC)Oc2ccc(c(c2)C(C)(C)CC)C(C)(C)CC)=O)cc1)c1ccc(cc1S(=O)(=O)c1ccccc1)N(C)C
SPLASH splash10-0002-7775309000-59a6060258a8eb8f5bcc
Source of Spectrum JX-2015-4-1447
Wiley ID 1726831