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3,5-Dimethyl-4-[(11'-bromoundecyl)oxy]-1-{[N-(t-butoxycarbonyl<N-methyl>amino)](isopropylmethyl)carbonyl]amino}-benzene
SpectraBase Compound ID 3gnTdRaDaoJ
InChI InChI=1S/C30H51BrN2O4/c1-22(2)26(33(8)29(35)37-30(5,6)7)28(34)32-25-20-23(3)27(24(4)21-25)36-19-17-15-13-11-9-10-12-14-16-18-31/h20-22,26H,9-19H2,1-8H3,(H,32,34)/t26-/m0/s1
InChIKey OHSBVILROCATGM-SANMLTNESA-N
Mol Weight 583.7 g/mol
Molecular Formula C30H51BrN2O4
Exact Mass 582.303221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkH3qpSLSET
Name 3,5-Dimethyl-4-[(11'-bromoundecyl)oxy]-1-{[N-(t-butoxycarbonylamino)](isopropylmethyl)carbonyl]amino}-benzene
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Formula C30H51BrN2O4
InChI InChI=1S/C30H51BrN2O4/c1-22(2)26(33(8)29(35)37-30(5,6)7)28(34)32-25-20-23(3)27(24(4)21-25)36-19-17-15-13-11-9-10-12-14-16-18-31/h20-22,26H,9-19H2,1-8H3,(H,32,34)/t26-/m0/s1
InChIKey OHSBVILROCATGM-SANMLTNESA-N
Molecular Weight 583.652 g/mol
SMILES N(C([C@@](N(C(OC(C)(C)C)=O)C)(C(C)C)[H])=O)c1cc(c(OCCCCCCCCCCCBr)c(c1)C)C
SPLASH splash10-0a79-9802010000-14b7d1434797c8d98199
Source of Spectrum F5-7-1882-12
Synonyms N-[(2S)-1-[4-(11-bromoundecoxy)-3,5-dimethylanilino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamic acid tert-butyl ester tert-Butyl N-[(2S)-1-[4-(11-bromoundecoxy)-3,5-dimethylanilino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate tert-Butyl N-[(1S)-1-[[4-(11-bromoundecoxy)-3,5-dimethyl-phenyl]carbamoyl]-2-methyl-propyl]-N-methyl-carbamate tert-Butyl N-[(2S)-1-[[4-(11-bromanylundecoxy)-3,5-dimethyl-phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N-methyl-carbamate
Wiley ID 1714151