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4-Bromo-1,1'-bistosyl-2,2'-bipyrrole
SpectraBase Compound ID 6yRzsgZa1pg
InChI InChI=1S/C22H19BrN2O4S2/c1-16-5-9-19(10-6-16)30(26,27)24-13-3-4-21(24)22-14-18(23)15-25(22)31(28,29)20-11-7-17(2)8-12-20/h3-15H,1-2H3
InChIKey YPLOSTVNJQWZTF-UHFFFAOYSA-N
Mol Weight 519.43 g/mol
Molecular Formula C22H19BrN2O4S2
Exact Mass 517.996962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nCEt66nZ0i
Name 4-Bromo-1,1'-bistosyl-2,2'-bipyrrole
Alternate Name(s) 4-Bromo-1-[(4-methylbenzene)sulfonyl]-2-{1-[(4-methylbenzene)sulfonyl]-1H-pyrrol-2-yl}-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19BrN2O4S2
InChI InChI=1S/C22H19BrN2O4S2/c1-16-5-9-19(10-6-16)30(26,27)24-13-3-4-21(24)22-14-18(23)15-25(22)31(28,29)20-11-7-17(2)8-12-20/h3-15H,1-2H3
InChIKey YPLOSTVNJQWZTF-UHFFFAOYSA-N
Molecular Weight 519.428 g/mol
SMILES c1(S([n]2c(-c3[n](S(c4ccc(cc4)C)(=O)=O)ccc3)cc(c2)Br)(=O)=O)ccc(cc1)C
SPLASH splash10-05mo-9605000000-82b8b60bea320c62bdc2
Source of Spectrum SO-0-282-15
Wiley ID 872912