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6-({[Bis(dimethylamino)methylene]sulfonio}methyl)-2-[4-({4-[5-({[bis(dimethylamino)methylene]sulfonio}methyl)-6-methyl-1,3-benzothiazol-2-yl]phenyl}diazenyl)phenyl]-7-methyl-9l4-[1,2,3,4]dithiadiazolo[2,3-a][1,2]thiazin-4-ium dichloride

View entire compound with spectra: 2 FTIR

6-({[Bis(dimethylamino)methylene]sulfonio}methyl)-2-[4-({4-[5-({[bis(dimethylamino)methylene]sulfonio}methyl)-6-methyl-1,3-benzothiazol-2-yl]phenyl}diazenyl)phenyl]-7-methyl-9l4-[1,2,3,4]dithiadiazolo[2,3-a][1,2]thiazin-4-ium dichloride
SpectraBase Compound ID EcOsyVNe3qP
InChI InChI=1S/C38H46N9S5.2ClH/c1-25-19-34-33(20-29(25)22-48-37(43(3)4)44(5)6)39-35(50-34)27-11-15-31(16-12-27)40-41-32-17-13-28(14-18-32)36-42-47-21-30(26(2)24-52(47)51-36)23-49-38(45(7)8)46(9)10;;/h11-21,24H,22-23H2,1-10H3;2*1H/q+3;;/p-2/b41-40-;;
InChIKey IGZTVTGECFPOCX-YWEKZFQUSA-L
Mol Weight 860.05 g/mol
Molecular Formula C38H46Cl2N9S5
Exact Mass 858.185679 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7RodIC82Hv1
Name 6-({[Bis(dimethylamino)methylene]sulfonio}methyl)-2-[4-({4-[5-({[bis(dimethylamino)methylene]sulfonio}methyl)-6-methyl-1,3-benzothiazol-2-yl]phenyl}diazenyl)phenyl]-7-methyl-9l4-[1,2,3,4]dithiadiazolo[2,3-a][1,2]thiazin-4-ium dichloride
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Formula C38H46Cl2N9S5
InChI InChI=1S/C38H46N9S5.2ClH/c1-25-19-34-33(20-29(25)22-48-37(43(3)4)44(5)6)39-35(50-34)27-11-15-31(16-12-27)40-41-32-17-13-28(14-18-32)36-42-47-21-30(26(2)24-52(47)51-36)23-49-38(45(7)8)46(9)10;;/h11-21,24H,22-23H2,1-10H3;2*1H/q+3;;/p-2/b41-40-;;
InChIKey IGZTVTGECFPOCX-YWEKZFQUSA-L
Instrument Name Bruker IFS 85
Technique KBr-Pellet