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IR-813 p-toluenesulfonate
SpectraBase Compound ID 7D4LjsdwcJw
InChI InChI=1S/C40H40ClN2.C7H8O3S/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,12-13,16-25H,11,14-15H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey LQVQHHTYXSPHSQ-UHFFFAOYSA-M
Mol Weight 755.4 g/mol
Molecular Formula C47H47ClN2O3S
Exact Mass 754.299592 g/mol
Parent InChIKey OJIWKZGAIJYISI-UHFFFAOYSA-M
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Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number C2886
  • 2-[2-[2-Chloro-3-[2-(1,3-dihydro-...)-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1,3-trimethyl-1H-benzo[e]indolium 4-methylbenzenesulfonate

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