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Di-tert-butyl 5,5'-(Naphthalene-2,6-diyl)bis(2-bromo-1H-pyrrole-1-carboxylate)
SpectraBase Compound ID LNgnVJYA94j
InChI InChI=1S/C28H28Br2N2O4/c1-27(2,3)35-25(33)31-21(11-13-23(31)29)19-9-7-18-16-20(10-8-17(18)15-19)22-12-14-24(30)32(22)26(34)36-28(4,5)6/h7-16H,1-6H3
InChIKey BMTJLJPXCJQUJQ-UHFFFAOYSA-N
Mol Weight 616.35 g/mol
Molecular Formula C28H28Br2N2O4
Exact Mass 614.041583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G79ekHiVoOm
Name Di-tert-butyl 5,5'-(Naphthalene-2,6-diyl)bis(2-bromo-1H-pyrrole-1-carboxylate)
Appearance White amorphous solid
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Formula C28H28Br2N2O4
InChI InChI=1S/C28H28Br2N2O4/c1-27(2,3)35-25(33)31-21(11-13-23(31)29)19-9-7-18-16-20(10-8-17(18)15-19)22-12-14-24(30)32(22)26(34)36-28(4,5)6/h7-16H,1-6H3
InChIKey BMTJLJPXCJQUJQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/asia.202000740
Molecular Weight 616.350 g/mol
Reported Formula C28H28(79)Br2N2O4
SMILES c1c(ccc2cc(ccc12)-c1ccc([n]1C(=O)OC(C)(C)C)Br)-c1ccc([n]1C(=O)OC(C)(C)C)Br
SPLASH splash10-014i-0000393000-97f550be7dfd1b2f28a2
Source of Spectrum CAJ-15-3074-33
Thin-Layer Chromatography Rf = 0.4 (hexane/ethyl acetate, 9:1)
Wiley ID 1855819