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4,5-SECOPREGN-3-YNE-5,20-DIONE

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4,5-SECOPREGN-3-YNE-5,20-DIONE
SpectraBase Compound ID EynpzHPULFt
InChI InChI=1S/C21H30O2/c1-5-6-12-21(4)18-11-13-20(3)16(14(2)22)8-9-17(20)15(18)7-10-19(21)23/h1,15-18H,6-13H2,2-4H3/t15-,16+,17-,18-,20+,21+/m0/s1
InChIKey KUNNWBVFEUWKNA-ZTEVBBAKSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KKJYXUgoCWo
Name 4,5-SECOPREGN-3-YNE-5,20-DIONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-5-6-12-21(4)18-11-13-20(3)16(14(2)22)8-9-17(20)15(18)7-10-19(21)23/h1,15-18H,6-13H2,2-4H3/t15-,16+,17-,18-,20+,21+/m0/s1
InChIKey KUNNWBVFEUWKNA-ZTEVBBAKSA-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 314.468 g/mol
Solvent CDCl3
Source File Reference UWCS18950