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4,16-androstadien-3-one-pentafluorobenzyloxime
SpectraBase Compound ID JtzKkGBmA2U
InChI InChI=1S/C26H28F5NO/c1-25-9-3-4-18(25)16-6-5-14-12-15(7-11-26(14,2)19(16)8-10-25)32-33-13-17-20(27)22(29)24(31)23(30)21(17)28/h3,9,12,16,18-19H,4-8,10-11,13H2,1-2H3/b32-15+/t16-,18-,19-,25-,26-/m0/s1
InChIKey SKEUORBXOLFSOX-YRFUDYGTSA-N
Mol Weight 465.51 g/mol
Molecular Formula C26H28F5NO
Exact Mass 465.209105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LvJ19YMzAA
Name 4,16-androstadien-3-one-pentafluorobenzyloxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28F5NO
InChI InChI=1S/C26H28F5NO/c1-25-9-3-4-18(25)16-6-5-14-12-15(7-11-26(14,2)19(16)8-10-25)32-33-13-17-20(27)22(29)24(31)23(30)21(17)28/h3,9,12,16,18-19H,4-8,10-11,13H2,1-2H3/b32-15+/t16-,18-,19-,25-,26-/m0/s1
InChIKey SKEUORBXOLFSOX-YRFUDYGTSA-N
Molecular Weight 465.508 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)CO\N=C\1C=C2CC[C@@]3([C@@]([C@]2(CC1)C)(CC[C@@]1(C=CC[C@@]31[H])C)[H])[H]
SPLASH splash10-014i-0021900000-5974050bcc94793aafc6
Source of Spectrum KO-21-161-3
Synonyms androsta-4,16-dien-3-one O-(2,3,4,5,6-pentafluorobenzyl)oxime
Wiley ID 1391736