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(2E,5R,6E)-5-HYDROXY-3-METHYL-7-PHENYL-2,6-HEPTADIENOIC-ACID-ETHYLESTER
SpectraBase Compound ID 2XqNBuAU9bw
InChI InChI=1S/C16H20O3/c1-3-19-16(18)12-13(2)11-15(17)10-9-14-7-5-4-6-8-14/h4-10,12,15,17H,3,11H2,1-2H3/b10-9+,13-12+/t15-/m0/s1
InChIKey VDUOPOGPOYWHIL-FWWJKEFGSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4c5SucwcnFn
Name (2E,5R,6E)-5-HYDROXY-3-METHYL-7-PHENYL-2,6-HEPTADIENOIC-ACID-ETHYLESTER
Compound Number 4CB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-3-19-16(18)12-13(2)11-15(17)10-9-14-7-5-4-6-8-14/h4-10,12,15,17H,3,11H2,1-2H3/b10-9+,13-12+/t15-/m0/s1
InChIKey VDUOPOGPOYWHIL-FWWJKEFGSA-N
Literature Reference Author S.E.DENMARK,G.L.BEUTNER
Literature Reference Citation J.AM.CHEM.SOC.,125,7800(2003)
Literature Reference DOI 10.1021/ja035448p
Molecular Weight 260.333 g/mol
Sample ID 41567
Solvent CDCl3