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3-Fluoropregna-5,17-diene
SpectraBase Compound ID FZ2oqeNrLHD
InChI InChI=1S/C21H31F/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4-5,16-19H,6-13H2,1-3H3/b14-4+
InChIKey XKRGQYUKEIPWOL-LNKIKWGQSA-N
Mol Weight 302.48 g/mol
Molecular Formula C21H31F
Exact Mass 302.240979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XcwJx5VC7e
Name 3-Fluoropregna-5,17-diene
Alternate Name(s) (17E)-3-fluoropregna-5,17-diene 3.beta.-Fluoropregna-5,17-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31F
InChI InChI=1S/C21H31F/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4-5,16-19H,6-13H2,1-3H3/b14-4+
InChIKey XKRGQYUKEIPWOL-LNKIKWGQSA-N
Molecular Weight 302.477 g/mol
SMILES C12(C(=CCC3C4CC\C(C4(CCC23)C)=C/C)CC(CC1)F)C
SPLASH splash10-0udr-0597000000-3ce5610d18ad06b427c8
Source of Spectrum MZ-34-4380-6
Wiley ID 1582782