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(S)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diol
SpectraBase Compound ID AZKaSinHi1J
InChI InChI=1S/C36H26F12O2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16,49-50H,1-8H2
InChIKey IZGSABWUJQZVAQ-UHFFFAOYSA-N
Mol Weight 718.6 g/mol
Molecular Formula C36H26F12O2
Exact Mass 718.174118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ziq0T6Uj2L
Name (S)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H26F12O2
InChI InChI=1S/C36H26F12O2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16,49-50H,1-8H2
InChIKey IZGSABWUJQZVAQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.200900263
Molecular Weight 718.583 g/mol
SMILES Oc1c(cc2CCCCc2c1-c1c(c(cc2c1CCCC2)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O)-c1cc(cc(C(F)(F)F)c1)C(F)(F)F
SPLASH splash10-014i-0000000900-47211f7c8416d6a0226f
Source of Spectrum CCC-2-456-4I
Synonyms 3,3'-bis(3,5-bis(trifluoromethyl)phenyl)-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol
Wiley ID 1786874