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3,5-Dimethyl-4-[(11'-bromoundecyl)oxy]-1-{[N-formyl-N-methyl>amino)](isopropylmethyl)carbonyl]amino}-benzene
SpectraBase Compound ID ShQrdwoFO0
InChI InChI=1S/C26H43BrN2O3/c1-20(2)24(29(5)19-30)26(31)28-23-17-21(3)25(22(4)18-23)32-16-14-12-10-8-6-7-9-11-13-15-27/h17-20,24H,6-16H2,1-5H3,(H,28,31)/t24-/m0/s1
InChIKey PAHLEYJJDJSTCU-DEOSSOPVSA-N
Mol Weight 511.5 g/mol
Molecular Formula C26H43BrN2O3
Exact Mass 510.245706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWaLOXbsvFk
Name 3,5-Dimethyl-4-[(11'-bromoundecyl)oxy]-1-{[N-formyl-N-methyl>amino)](isopropylmethyl)carbonyl]amino}-benzene
Alternate Name(s) (2S)-N-[4-(11-bromoundecoxy)-3,5-dimethylphenyl]-2-[formyl(methyl)amino]-3-methylbutanamide (2S)-N-[4-(11-bromoundecoxy)-3,5-dimethyl-phenyl]-2-[formyl(methyl)amino]-3-methyl-butanamide (2S)-N-[4-(11-bromanylundecoxy)-3,5-dimethyl-phenyl]-2-[methanoyl(methyl)amino]-3-methyl-butanamide
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Formula C26H43BrN2O3
InChI InChI=1S/C26H43BrN2O3/c1-20(2)24(29(5)19-30)26(31)28-23-17-21(3)25(22(4)18-23)32-16-14-12-10-8-6-7-9-11-13-15-27/h17-20,24H,6-16H2,1-5H3,(H,28,31)/t24-/m0/s1
InChIKey PAHLEYJJDJSTCU-DEOSSOPVSA-N
Molecular Weight 511.545 g/mol
SMILES N(C([C@@](N(C=O)C)(C(C)C)[H])=O)c1cc(C)c(c(c1)C)OCCCCCCCCCCCBr
SPLASH splash10-03di-3903050000-d482685ba7a379bb13a2
Source of Spectrum F5-7-1882-13
Wiley ID 1696443