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MODIOLIN;ETHYL-(2Z,4E)-9-HYDROXYDECAN-2,4-DIENOATE
SpectraBase Compound ID LwD2CT9avYM
InChI InChI=1S/C12H20O3/c1-3-15-12(14)10-8-6-4-5-7-9-11(2)13/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3/b6-4+,10-8-/t11-/m1/s1
InChIKey LTHMZLZFQXPZHS-BTIHDQLTSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xj45Hqjd8
Name MODIOLIN;ETHYL-(2Z,4E)-9-HYDROXYDECAN-2,4-DIENOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-3-15-12(14)10-8-6-4-5-7-9-11(2)13/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3/b6-4+,10-8-/t11-/m1/s1
InChIKey LTHMZLZFQXPZHS-BTIHDQLTSA-N
Literature Reference Author M.TSUDA,T.MUGISHIMA,K.KOMATSU,T.SONE,M.TANAKA,Y.MIKAMI,J.I.K OBAYASHI
Literature Reference Citation J.NAT.PROD.,66,412(2003)
Literature Reference DOI 10.1021/np0203943
Molecular Weight 212.289 g/mol
Solvent CDCl3
Source File Reference UWSI4680