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4,6-Pregnadien-3,20-dione

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4,6-Pregnadien-3,20-dione
SpectraBase Compound ID 5WyTHXdRZMP
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKey JGMOKGBVKVMRFX-LEKSSAKUSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIlvyIPbLIf
Name PREGNA-4,6-DIENE-2,30-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKey JGMOKGBVKVMRFX-LEKSSAKUSA-N
Literature Reference Author R.K.HAYNES,W.R.JACKSON,A.STRAGALINOU
Literature Reference Citation AUSTR.J.CHEM.,33,1537(1980)
Literature Reference DOI 10.1071/ch9801537
Molecular Weight 312.452 g/mol
Solvent CDCl3
Source File Reference UWED4342