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3-[(4-bromoanilino)methyl]-1-[2-(4-nitrophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-1-ium bromide
SpectraBase Compound ID 64Z4HgVcYaf
InChI InChI=1S/C22H23BrN5O3.BrH/c23-17-7-9-18(10-8-17)24-14-21-25-27(22-4-2-1-3-13-26(21)22)15-20(29)16-5-11-19(12-6-16)28(30)31;/h5-12,24H,1-4,13-15H2;1H/q+1;/p-1
InChIKey CBEDGPUOOSPJRZ-UHFFFAOYSA-M
Mol Weight 565.27 g/mol
Molecular Formula C22H23Br2N5O3
Exact Mass 563.016766 g/mol
Parent InChIKey CJKFEANMHBSJKE-UHFFFAOYSA-M
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