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3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]androst-5-en-17-one
SpectraBase Compound ID 4Dg33zDd3Ft
InChI InChI=1S/C26H27F7O2/c1-24-9-7-13(35-23-21(29)19(27)18(26(31,32)33)20(28)22(23)30)11-12(24)3-4-14-15-5-6-17(34)25(15,2)10-8-16(14)24/h3,13-16H,4-11H2,1-2H3/t13?,14-,15-,16-,24-,25-/m0/s1
InChIKey KSWMMSJCFATWQF-YITLADTISA-N
Mol Weight 504.49 g/mol
Molecular Formula C26H27F7O2
Exact Mass 504.189927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Iy1cB4Vm2e
Name 3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]androst-5-en-17-one
Comments Less than 3 mono-isotopic peaks
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Formula C26H27F7O2
InChI InChI=1S/C26H27F7O2/c1-24-9-7-13(35-23-21(29)19(27)18(26(31,32)33)20(28)22(23)30)11-12(24)3-4-14-15-5-6-17(34)25(15,2)10-8-16(14)24/h3,13-16H,4-11H2,1-2H3/t13?,14-,15-,16-,24-,25-/m0/s1
InChIKey KSWMMSJCFATWQF-YITLADTISA-N
Molecular Weight 504.489 g/mol
SMILES c1(c(c(F)c(c(c1F)F)OC1CC2=CC[C@]3([C@@]4(CCC([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)=O)[H])[H])F)C(F)(F)F
SPLASH splash10-00di-0090000000-256b0b88e79394d9a5ff
Source of Spectrum KC-1991-2415-3
Wiley ID 1399494