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(E)-3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]androst-5-en-17-one-oxime
SpectraBase Compound ID 70HijKRCEtx
InChI InChI=1S/C26H28F7NO2/c1-24-9-7-13(36-23-21(29)19(27)18(26(31,32)33)20(28)22(23)30)11-12(24)3-4-14-15-5-6-17(34-35)25(15,2)10-8-16(14)24/h3,13-16,35H,4-11H2,1-2H3/b34-17+/t13?,14-,15-,16-,24-,25-/m0/s1
InChIKey CUIZMGHOOVZZGA-CJEGKHBPSA-N
Mol Weight 519.5 g/mol
Molecular Formula C26H28F7NO2
Exact Mass 519.200826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Qm6JZgJuhI
Name (E)-3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]androst-5-en-17-one-oxime
Alternate Name(s) 3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]androst-5-en-17-one oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28F7NO2
InChI InChI=1S/C26H28F7NO2/c1-24-9-7-13(36-23-21(29)19(27)18(26(31,32)33)20(28)22(23)30)11-12(24)3-4-14-15-5-6-17(34-35)25(15,2)10-8-16(14)24/h3,13-16,35H,4-11H2,1-2H3/b34-17+/t13?,14-,15-,16-,24-,25-/m0/s1
InChIKey CUIZMGHOOVZZGA-CJEGKHBPSA-N
Molecular Weight 519.504 g/mol
SMILES O\N=C\1[C@]2(CC[C@@]3([C@]4(CCC(CC4=CC[C@]3([C@@]2(CC1)[H])[H])Oc1c(c(c(c(c1F)F)C(F)(F)F)F)F)C)[H])C
SPLASH splash10-0udr-0050090000-7febaf00f9877f052dae
Source of Spectrum KC-1991-2415-4
Wiley ID 1401822