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(1S,2E,4Z,7E,11E)-CEMBRA-2,4,7,11-TETRAEN-10-ONE
SpectraBase Compound ID 1nAa9i87neD
InChI InChI=1S/C20H30O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7-9,11,14-15,19H,6,10,12-13H2,1-5H3/b11-9-,16-7-,17-8-,18-14-/t19-/m0/s1
InChIKey MZTPSSNCTBEIEA-WCXVELMMSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 926tbYJHdPC
Name (1S,2E,4Z,7E,11E)-CEMBRA-2,4,7,11-TETRAEN-10-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O
InChI InChI=1S/C20H30O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7-9,11,14-15,19H,6,10,12-13H2,1-5H3/b11-9-,16-7-,17-8-,18-14-/t19-/m0/s1
InChIKey MZTPSSNCTBEIEA-WCXVELMMSA-N
Literature Reference Author A.V.VOROBJEV,M.M.SHAKIROV,V.A.RALDUGIN,C.H.HEATHCOCK
Literature Reference Citation J.ORG.CHEM.,60,63(1995)
Literature Reference DOI 10.1021/jo00106a015
Molecular Weight 286.458 g/mol
Solvent Unknown
Source File Reference UWRU3189