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#(M)-14;1-[(2''S)-METHOXY-(TRIFLUOROMETHYL)-PHENYLACETOXY]-4-[1'-[(2'''S)-METHOXY-(TRIFLUOROMETHYL)-PHENYLACETOXY]-3'-METHYL-9'H-CARBAZOL-9'-YL]-3-METHYL-9H-CARB
SpectraBase Compound ID 48xyz9smLlS
InChI InChI=1S/C46H34F6N2O6/c1-26-23-32-30-19-12-14-22-34(30)54(40(32)36(24-26)60-42(56)44(58-4,46(50,51)52)29-17-9-6-10-18-29)39-27(2)25-35(38-37(39)31-20-11-13-21-33(31)53-38)59-41(55)43(57-3,45(47,48)49)28-15-7-5-8-16-28/h5-25,53H,1-4H3/t43-,44-/m0/s1
InChIKey UXCKAKZXHCEQMB-CXNSMIOJSA-N
Mol Weight 824.8 g/mol
Molecular Formula C46H34F6N2O6
Exact Mass 824.232106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KukFqdhdrSb
Name (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid 3,3'-dimethyl-1'-((S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)-9H-[4,9']bicarbazolyl-1-yl ester
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Formula C46H34F6N2O6
InChI InChI=1S/C46H34F6N2O6/c1-26-23-32-30-19-12-14-22-34(30)54(40(32)36(24-26)60-42(56)44(58-4,46(50,51)52)29-17-9-6-10-18-29)39-27(2)25-35(38-37(39)31-20-11-13-21-33(31)53-38)59-41(55)43(57-3,45(47,48)49)28-15-7-5-8-16-28/h5-25,53H,1-4H3/t43-,44-/m0/s1
InChIKey UXCKAKZXHCEQMB-CXNSMIOJSA-N
Molecular Weight 824.776 g/mol
SMILES [nH]1c2c(c3c1c(cc(c3-[n]1c3c(cc(cc3OC([C@](C(F)(F)F)(c3ccccc3)OC)=O)C)c3c1cccc3)C)OC([C@](C(F)(F)F)(c1ccccc1)OC)=O)cccc2
SPLASH splash10-00dr-0809104040-7986cedde6f2a02cae94
Source of Spectrum C-123-2710-14
Synonyms {[(2S)-Methoxy(trifluoromethyl)phenylacetoxy[-4-[1-(2S)-methoxy(trifluoromethyl)phenylacetoxy]-3-methyl-9'H-carbazol-9-yl}-3-methyl-9H-carbazole
Wiley ID 1700593