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6-PENTYL-4-TERT.-BUTYL-CYCLOHEPT-4-EN-1,3-DIONE

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6-PENTYL-4-TERT.-BUTYL-CYCLOHEPT-4-EN-1,3-DIONE
SpectraBase Compound ID GXyjGfCpwK3
InChI InChI=1S/C16H26O2/c1-5-6-7-8-12-9-13(17)10-14(18)11-15(12)16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKey BXKSAVBTZARUNO-UHFFFAOYSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGDN0B7DoFW
Name 6-PENTYL-4-TERT.-BUTYL-CYCLOHEPT-4-EN-1,3-DIONE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-5-6-7-8-12-9-13(17)10-14(18)11-15(12)16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKey BXKSAVBTZARUNO-UHFFFAOYSA-N
Literature Reference Author K.TAKEDA,Y.OHTANI
Literature Reference Citation ORG.LETTERS,1,677(1999)
Literature Reference DOI 10.1021/ol990764n
Molecular Weight 250.381 g/mol
Solvent CDCl3
Source File Reference UWSI26174