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IHCJABWDAAHYSG-GGCSAXROSA-N
SpectraBase Compound ID FfDT3oAEFXg
InChI InChI=1S/C83H98F3N5O15S13/c1-18-103-73(95)53-60-66(115-78(10,11)109-60)56(67-61(53)110-79(12,13)116-67)82(97,57-68-62(111-80(14,15)117-68)54(74(96)104-19-2)63-69(57)118-81(16,17)112-63)55-64-58(107-76(6,7)113-64)52(59-65(55)114-77(8,9)108-59)71(93)88-32-34-100-35-36-101-37-38-102-42-51(92)90-48-39-43(27-30-50(48)105-33-22-25-46-29-28-44-23-21-31-87-70(44)89-46)40-49(72(94)106-75(3,4)5)91-119(98,99)47-26-20-24-45(41-47)83(84,85)86/h20,24,26-30,39,41,49,91,97H,18-19,21-23,25,31-38,40,42H2,1-17H3,(H,87,89)(H,88,93)(H,90,92)/t49-/m0/s1
InChIKey IHCJABWDAAHYSG-GGCSAXROSA-N
Mol Weight 1879.5 g/mol
Molecular Formula C83H98F3N5O15S13
Exact Mass 1877.338077 g/mol
Enantiomer InChIKey IHCJABWDAAHYSG-ANFMRNGASA-N
Racemate InChIKey IHCJABWDAAHYSG-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Tetrathiatriarylmethyl Radicals Conjugated to an RGD-Peptidomimetic European Journal of Organic Chemistry 2014

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