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3-NONAFLUOROBUTYL-ANDROSTA-3,5-DIEN-17-ONE
SpectraBase Compound ID BQa0YfDWKah
InChI InChI=1S/C23H25F9O/c1-18-9-7-13(20(24,25)21(26,27)22(28,29)23(30,31)32)11-12(18)3-4-14-15-5-6-17(33)19(15,2)10-8-16(14)18/h3,11,14-16H,4-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey HAMZJTBCCDOIKV-QAGGRKNESA-N
Mol Weight 488.44 g/mol
Molecular Formula C23H25F9O
Exact Mass 488.176169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A5MeuMppEW
Name 3-NONAFLUOROBUTYL-ANDROSTA-3,5-DIEN-17-ONE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25F9O
InChI InChI=1S/C23H25F9O/c1-18-9-7-13(20(24,25)21(26,27)22(28,29)23(30,31)32)11-12(18)3-4-14-15-5-6-17(33)19(15,2)10-8-16(14)18/h3,11,14-16H,4-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey HAMZJTBCCDOIKV-QAGGRKNESA-N
Literature Reference Author J.R.WILLIAMS,T.J.SHEA
Literature Reference Citation STEROIDS,61,50(1996)
Literature Reference DOI 10.1016/0039-128x(95)00176-q
Molecular Weight 488.437 g/mol
Sample ID 968639
Solvent CDCl3