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Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[2-chloro-4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxyphenyl]-

View entire compound with spectra: 1 MS (GC)

Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[2-chloro-4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxyphenyl]-
SpectraBase Compound ID AhcRPeTbNm1
InChI InChI=1S/C36H45ClN4O4/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)40-28-21-30(42)29(20-27(28)37)41-34(44)39-25-16-13-23(22-38)14-17-25/h13-21,32,42H,8-12H2,1-7H3,(H,40,43)(H2,39,41,44)
InChIKey SSHDDBAGLVSPKX-UHFFFAOYSA-N
Mol Weight 633.2 g/mol
Molecular Formula C36H45ClN4O4
Exact Mass 632.312934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfkI2sedGrY
Name Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[2-chloro-4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxyphenyl]-
Alternate Name(s) N-(2-chloro-4-(3-(4-cyanophenyl)ureido)-5-hydroxyphenyl)-2-(2,4-di-tert-pentylphenoxy)hexanamide 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-chloro-4-{[(4-cyanophenyl)carbamoyl]amino}-5-hydroxyphenyl)hexanamide 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-chloro-4-[[(4-cyanoanilino)-oxomethyl]amino]-5-hydroxyphenyl]hexanamide 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxyphenyl]hexanamide 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-phenyl]hexanamide 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-chloranyl-4-[(4-cyanophenyl)carbamoylamino]-5-oxidanyl-phenyl]hexanamide
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Formula C36H45ClN4O4
InChI InChI=1S/C36H45ClN4O4/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)40-28-21-30(42)29(20-27(28)37)41-34(44)39-25-16-13-23(22-38)14-17-25/h13-21,32,42H,8-12H2,1-7H3,(H,40,43)(H2,39,41,44)
InChIKey SSHDDBAGLVSPKX-UHFFFAOYSA-N
Molecular Weight 633.233 g/mol
SMILES N(C(C(CCCC)Oc1c(cc(cc1)C(C)(C)CC)C(C)(C)CC)=O)c1cc(c(cc1Cl)NC(=O)Nc1ccc(C#N)cc1)O
SPLASH splash10-00kf-7950300000-227ea9a04973a837420e
Source of Spectrum JX-2015-4-1363
Wiley ID 1726751