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4-BUTYL-6-PENTYL-CYCLOHEPT-4-EN-1,3-DIONE
SpectraBase Compound ID G8pnwG3iCn4
InChI InChI=1S/C16H26O2/c1-3-5-7-9-14-11-16(18)12-15(17)10-13(14)8-6-4-2/h10,14H,3-9,11-12H2,1-2H3
InChIKey MPQIYOOJGIFXQG-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 KwxnJF4Htoz
Name 4-BUTYL-6-PENTYL-CYCLOHEPT-4-EN-1,3-DIONE
Compound Number 2 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-3-5-7-9-14-11-16(18)12-15(17)10-13(14)8-6-4-2/h10,14H,3-9,11-12H2,1-2H3
InChIKey MPQIYOOJGIFXQG-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 UWSI26172