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17-BETA-CYANO-3-CYClOETHYLENDIOXYANDROST-4-ENE
SpectraBase Compound ID 9ApsJNCwyUq
InChI InChI=1S/C22H31NO2/c1-20-8-7-19-17(18(20)6-4-16(20)14-23)5-3-15-13-22(24-11-12-25-22)10-9-21(15,19)2/h3,16-19H,4-13H2,1-2H3/t16-,17+,18+,19+,20-,21+/m1/s1
InChIKey FUZCPLHZMKOTCW-RDWCLUPISA-N
Mol Weight 341.5 g/mol
Molecular Formula C22H31NO2
Exact Mass 341.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbAPCX9czRF
Name 17-BETA-CYANO-3-CYClOETHYLENDIOXYANDROST-4-ENE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO2
InChI InChI=1S/C22H31NO2/c1-20-8-7-19-17(18(20)6-4-16(20)14-23)5-3-15-13-22(24-11-12-25-22)10-9-21(15,19)2/h3,16-19H,4-13H2,1-2H3/t16-,17+,18+,19+,20-,21+/m1/s1
InChIKey FUZCPLHZMKOTCW-RDWCLUPISA-N
Literature Reference Author G.M.CABALLERO,E.G.GROS
Literature Reference Citation MAGN.RES.CHEM.,34,162(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199602)34:2<162::aid-omr834>3.0.co;2-u
Molecular Weight 341.494 g/mol
Solvent CDCl3
Source File Reference UWCP2031