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Benzenepropanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4-methoxy-.beta.-oxo-
SpectraBase Compound ID 19D0PD04ky5
InChI InChI=1S/C36H45ClN2O5/c1-8-35(3,4)25-14-19-32(28(21-25)36(5,6)9-2)44-20-10-11-33(41)38-26-15-18-29(37)30(22-26)39-34(42)23-31(40)24-12-16-27(43-7)17-13-24/h12-19,21-22H,8-11,20,23H2,1-7H3,(H,38,41)(H,39,42)
InChIKey JVGMQDVABRUYHM-UHFFFAOYSA-N
Mol Weight 621.2 g/mol
Molecular Formula C36H45ClN2O5
Exact Mass 620.3017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvAN3w9xyxg
Name Benzenepropanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4-methoxy-.beta.-oxo-
Alternate Name(s) N-(4-chloro-3-(3-(4-methoxyphenyl)-3-oxopropanamido)phenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chloro-3-{[3-(4-methoxyphenyl)-3-oxopropanoyl]amino}phenyl)butanamide 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloro-3-[[3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]phenyl]butanamide 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloro-3-[[3-(4-methoxyphenyl)-3-oxopropanoyl]amino]phenyl]butanamide 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-chloro-3-[[3-(4-methoxyphenyl)-3-oxo-propanoyl]amino]phenyl]butanamide 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloranyl-3-[[3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]butanamide
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Formula C36H45ClN2O5
InChI InChI=1S/C36H45ClN2O5/c1-8-35(3,4)25-14-19-32(28(21-25)36(5,6)9-2)44-20-10-11-33(41)38-26-15-18-29(37)30(22-26)39-34(42)23-31(40)24-12-16-27(43-7)17-13-24/h12-19,21-22H,8-11,20,23H2,1-7H3,(H,38,41)(H,39,42)
InChIKey JVGMQDVABRUYHM-UHFFFAOYSA-N
Molecular Weight 621.218 g/mol
SMILES N(C(CCCOc1ccc(C(CC)(C)C)cc1C(C)(C)CC)=O)c1ccc(c(c1)NC(=O)CC(=O)c1ccc(OC)cc1)Cl
SPLASH splash10-03di-2390000000-3718576b6e0994715c46
Source of Spectrum JX-2015-4-1328
Wiley ID 1726716