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OXYSCEPTRIN
SpectraBase Compound ID HxE9Kwtk7mg
InChI InChI=1S/C22H24Br2N10O3.2C2HF3O2/c23-8-1-12(27-3-8)18(35)29-5-10-11(6-30-19(36)13-2-9(24)4-28-13)16(17-20(37)34-22(26)33-17)15(10)14-7-31-21(25)32-14;2*3-2(4,5)1(6)7/h1-4,7,10-11,15-17,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,32)(H3,26,33,34,37);2*(H,6,7)/t10-,11-,15-,16+,17?;;/m1../s1
InChIKey VTSKWIHCCHAKNZ-INDGHYKPSA-N
Mol Weight 864.355 g/mol
Molecular Formula C26H26Br2F6N10O7
Exact Mass 862.025688 g/mol
Parent InChIKey BCDVBQKLSBGFBQ-BBOHWHHJSA-N
Enantiomer InChIKey VTSKWIHCCHAKNZ-KKBMQVHASA-N
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Solvent CD3OD
Title Journal or Book Year
Unusually Large 13C NMR Chemical Shift Differences between Neutral and Protonated Glycocyamidines. New Insights on Previously Reported Chemical Shift Assignments and Chemical Properties The Journal of Organic Chemistry 1998

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