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4-CYANOPREGN-4-ENE-3,20-DIONE;4-CYANOPROGESTERONE

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4-CYANOPREGN-4-ENE-3,20-DIONE;4-CYANOPROGESTERONE
SpectraBase Compound ID 4hAx7tLBCex
InChI InChI=1S/C22H29NO2/c1-13(24)16-6-7-17-14-4-5-18-15(12-23)20(25)9-11-22(18,3)19(14)8-10-21(16,17)2/h14,16-17,19H,4-11H2,1-3H3/t14-,16+,17-,19-,21+,22-/m0/s1
InChIKey DUUHURKBTHYVAZ-GMYOYGJASA-N
Mol Weight 339.48 g/mol
Molecular Formula C22H29NO2
Exact Mass 339.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID miGJEFCbNn
Name 4-CYANOPREGN-4-ENE-3,20-DIONE;4-CYANOPROGESTERONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29NO2
InChI InChI=1S/C22H29NO2/c1-13(24)16-6-7-17-14-4-5-18-15(12-23)20(25)9-11-22(18,3)19(14)8-10-21(16,17)2/h14,16-17,19H,4-11H2,1-3H3/t14-,16+,17-,19-,21+,22-/m0/s1
InChIKey DUUHURKBTHYVAZ-GMYOYGJASA-N
Literature Reference Author M.HAASE-HELD,M.HATZIS,J.MANN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2907(1993)
Literature Reference DOI 10.1039/p19930002907
Molecular Weight 339.478 g/mol
Solvent CDCl3
Source File Reference UWCS18947