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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 4GKxvvdPwEY
Name 3-[(pentafluorobenzyloxy)imino]2,2,4,6,6-pentadeuterioandrosta-4,16-diene
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 C=12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC=C4)[H])C)[H])(CC\C(C1)=N/OCc1c(c(F)c(c(c1F)F)F)F)C
SPLASH splash10-014i-0053900000-6056a331e14458a0bbb1
Source of Spectrum JC-565-38-0
Wiley ID 1391735