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METHYL-(2E,4E)-3-METHYL-5-(3'-OXO-2',6',6'-TRIMETHYL-CYCLOHEX-1'-EN-1'-YL)-2,4-PENTADIENOATE;METHYL-(TRANS)-3'-KETO-BETA-IONYLIDENEACETATE

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METHYL-(2E,4E)-3-METHYL-5-(3'-OXO-2',6',6'-TRIMETHYL-CYCLOHEX-1'-EN-1'-YL)-2,4-PENTADIENOATE;METHYL-(TRANS)-3'-KETO-BETA-IONYLIDENEACETATE
SpectraBase Compound ID 9MV1ORdSaTo
InChI InChI=1S/C16H22O3/c1-11(10-15(18)19-5)6-7-13-12(2)14(17)8-9-16(13,3)4/h6-7,10H,8-9H2,1-5H3/b7-6+,11-10+
InChIKey WVJAKMXEIRWXRW-MVQNEBOGSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1c2N9byNXLb
Name METHYL-(2E,4E)-3-METHYL-5-(3'-OXO-2',6',6'-TRIMETHYL-CYCLOHEX-1'-EN-1'-YL)-2,4-PENTADIENOATE;METHYL-(TRANS)-3'-KETO-BETA-IONYLIDENEACETATE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-11(10-15(18)19-5)6-7-13-12(2)14(17)8-9-16(13,3)4/h6-7,10H,8-9H2,1-5H3/b7-6+,11-10+
InChIKey WVJAKMXEIRWXRW-MVQNEBOGSA-N
Literature Reference Author S.M.NORMAN,S.M.POLING,V.P.MAIER,M.D.NELSON
Literature Reference Citation AGR.BIOL.CHEM.,49,2317(1985)
Literature Reference DOI 10.1271/bbb1961.49.2317
Molecular Weight 262.349 g/mol
Solvent CDCl3
Source File Reference UWIR8469