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Ethyl 3-[4-[N-(tert-Butyloxycarbonyl)amino]-5,6-dibromohexenoate
SpectraBase Compound ID Ik5E74L38yM
InChI InChI=1S/C19H27Br2NO4/c1-5-25-17(23)11-14(10-15(21)12-20)13-6-8-16(9-7-13)22-18(24)26-19(2,3)4/h6-9,14-15H,5,10-12H2,1-4H3,(H,22,24)
InChIKey KVEADTIXAMWXHQ-UHFFFAOYSA-N
Mol Weight 493.24 g/mol
Molecular Formula C19H27Br2NO4
Exact Mass 491.030684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EykhxN83o4g
Name Ethyl 3-[4-[N-(tert-Butyloxycarbonyl)amino]-5,6-dibromohexenoate
Alternate Name(s) 5,6-Dibromo-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]hexanoic acid ethyl ester Ethyl 5,6-dibromo-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hexanoate Ethyl 5,6-dibromo-3-[4-(tert-butoxycarbonylamino)phenyl]hexanoate Ethyl 5,6-bis(bromanyl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hexanoate
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Formula C19H27Br2NO4
InChI InChI=1S/C19H27Br2NO4/c1-5-25-17(23)11-14(10-15(21)12-20)13-6-8-16(9-7-13)22-18(24)26-19(2,3)4/h6-9,14-15H,5,10-12H2,1-4H3,(H,22,24)
InChIKey KVEADTIXAMWXHQ-UHFFFAOYSA-N
Molecular Weight 493.236 g/mol
SMILES N(C(OC(C)(C)C)=O)c1ccc(C(CC(=O)OCC)CC(Br)CBr)cc1
SPLASH splash10-0a4l-9200000000-7eb45503821be8074873
Source of Spectrum E1-35-4156-15
Wiley ID 1574492