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Bis(diisopropylammonium S,S-Bis[5-cyano-2-(p-bromophenyl)-2,6-dioxopyridine]disulfide salt
SpectraBase Compound ID A3I1scjJbgU
InChI InChI=1S/C24H12Br2N4O4S2.2C6H14N/c25-13-5-1-11(2-6-13)17-15(9-27)21(31)29-23(33)19(17)35-36-20-18(12-3-7-14(26)8-4-12)16(10-28)22(32)30-24(20)34;2*1-5(2)7-6(3)4/h1-8,15-16H,(H,29,31,33)(H,30,32,34);2*5-6H,1-4H3/q;2*-1/p+2
InChIKey BONUMZASCRGOCX-UHFFFAOYSA-P
Mol Weight 846.7 g/mol
Molecular Formula C36H42Br2N6O4S2
Exact Mass 844.107572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bOOQ11Z2w6
Name Bis(diisopropylammonium S,S-Bis[5-cyano-2-(p-bromophenyl)-2,6-dioxopyridine]disulfide salt
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Formula C36H42Br2N6O4S2
InChI InChI=1S/C24H12Br2N4O4S2.2C6H14N/c25-13-5-1-11(2-6-13)17-15(9-27)21(31)29-23(33)19(17)35-36-20-18(12-3-7-14(26)8-4-12)16(10-28)22(32)30-24(20)34;2*1-5(2)7-6(3)4/h1-8,15-16H,(H,29,31,33)(H,30,32,34);2*5-6H,1-4H3/q;2*-1/p+2
InChIKey BONUMZASCRGOCX-UHFFFAOYSA-P
Molecular Weight 846.698 g/mol
SMILES C([N-]C(C)C)(C)C.[NH2+]1C(C(C(=C(SSC=2C([NH2+]C(C(C2c2ccc(cc2)Br)C#N)=O)=O)C1=O)c1ccc(cc1)Br)C#N)=O.C([N-]C(C)C)(C)C
SPLASH splash10-006w-0002009000-7870266834724c7c13fc
Source of Spectrum F-66-7797-2f
Wiley ID 1684514