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[3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-3-ALPHA-(2-CARBOMETHOXYETHYL)-3-BETA-METHYL-3H-PYRROLIUM]-(OTF)3
SpectraBase Compound ID L6aP5dGMMRo
InChI InChI=1S/C9H13NO2.3CHF3O3S.5H3N.Os/c1-9(5-6-10-7-9)4-3-8(11)12-2;3*2-1(3,4)8(5,6)7;;;;;;/h5-7H,3-4H2,1-2H3;3*(H,5,6,7);5*1H3;/q;;;;;;;;;+2/p-2/t9-;;;;;;;;;/m0........./s1
InChIKey PNJHLMUXGGYHGJ-JARQKVEZSA-L
Mol Weight 890.79 g/mol
Molecular Formula C12H29F9N6O11OsS3
Exact Mass 892.052753 g/mol
Parent InChIKey FTDYMYHLYKGTFK-VIFPVBQESA-L
Enantiomer InChIKey PNJHLMUXGGYHGJ-ZQMUKWSCSA-L
Racemate InChIKey PNJHLMUXGGYHGJ-UHFFFAOYSA-L
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