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Di-tert-butyl 5,5'-(1,4-Phenylene)bis(2-bromo-1H-pyrrole-1-carboxylate)
SpectraBase Compound ID JkXhB9hqUDC
InChI InChI=1S/C24H26Br2N2O4/c1-23(2,3)31-21(29)27-17(11-13-19(27)25)15-7-9-16(10-8-15)18-12-14-20(26)28(18)22(30)32-24(4,5)6/h7-14H,1-6H3
InChIKey NOFOIJLKTKDJSR-UHFFFAOYSA-N
Mol Weight 566.29 g/mol
Molecular Formula C24H26Br2N2O4
Exact Mass 564.025933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1XKshsg772
Name Di-tert-butyl 5,5'-(1,4-Phenylene)bis(2-bromo-1H-pyrrole-1-carboxylate)
Appearance White crystalline solid
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Formula C24H26Br2N2O4
InChI InChI=1S/C24H26Br2N2O4/c1-23(2,3)31-21(29)27-17(11-13-19(27)25)15-7-9-16(10-8-15)18-12-14-20(26)28(18)22(30)32-24(4,5)6/h7-14H,1-6H3
InChIKey NOFOIJLKTKDJSR-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/asia.202000740
Molecular Weight 566.290 g/mol
Reported Formula C24H26(79)Br2N2O4
SMILES c1(-c2[n](C(OC(C)(C)C)=O)c(Br)cc2)ccc(-c2[n](C(OC(C)(C)C)=O)c(Br)cc2)cc1
SPLASH splash10-066r-0059630000-d2bf9ec705af79a01164
Source of Spectrum CAJ-15-3072-20
Thin-Layer Chromatography Rf = 0.5 (hexane/dichloromethane, 1:1)
Wiley ID 1855813