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CIS-ISOCOHUMULONE
SpectraBase Compound ID EizkhT2VaRV
InChI InChI=1S/C20H28O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h7-8,13-14,24-25H,9-10H2,1-6H3/t14-,20+/m1/s1
InChIKey KKXFYHZSOIALRM-VLIAUNLRSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lnrqnCx1hn
Name CIS-ISOCOHUMULONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h7-8,13-14,24-25H,9-10H2,1-6H3/t14-,20+/m1/s1
InChIKey KKXFYHZSOIALRM-VLIAUNLRSA-N
Literature Reference Author .INTELMANN,G.HASELEU,T.HOFMANN
Literature Reference Citation J.AGR.FOOD.CHEM.,57,1172(2009)
Literature Reference DOI 10.1021/jf803040g
Molecular Weight 348.439 g/mol
Sample ID 67931
Solvent CD3OD