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(+)-trans-KHELLACTONE

View entire compound with spectra: 3 NMR

(+)-trans-KHELLACTONE
SpectraBase Compound ID KcQiisvlYwy
InChI InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13+/m1/s1
InChIKey HKXQUNNSKMWIKJ-YPMHNXCESA-N
Mol Weight 262.26 g/mol
Molecular Formula C14H14O5
Exact Mass 262.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lfu1o6Gexkz
Name (+)-TRANS-KHELLACTONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14O5
InChI InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13+/m1/s1
InChIKey HKXQUNNSKMWIKJ-YPMHNXCESA-N
Literature Reference Author M.J.U.TORO,A.H.MUELLER,M.S.P.ARRUDA,A.C.ARRUDA
Literature Reference Citation PHYTOCHEM.,45,851(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00877-1
Molecular Weight 262.262 g/mol
Solvent CDCl3
Source File Reference UWSP1602