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3-(4-Formyl-8,12-dimethyl-3(Z),7(E),11-tridecatrienyl)-2,5-dihydro-2-methoxy-5-oxo-furane
SpectraBase Compound ID 4TiGSpetme
InChI InChI=1S/C21H30O4/c1-16(2)8-5-9-17(3)10-6-11-18(15-22)12-7-13-19-14-20(23)25-21(19)24-4/h8,10,12,14-15,21H,5-7,9,11,13H2,1-4H3/b17-10+,18-12+
InChIKey UNTNBWGFXHJYHY-VZRGJMDUSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBlSQFvdcrT
Name 3-(4-Formyl-8,12-dimethyl-3(Z),7(E),11-tridecatrienyl)-2,5-dihydro-2-methoxy-5-oxo-furane
Comments reassigned
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Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-16(2)8-5-9-17(3)10-6-11-18(15-22)12-7-13-19-14-20(23)25-21(19)24-4/h8,10,12,14-15,21H,5-7,9,11,13H2,1-4H3/b17-10+,18-12+
InChIKey UNTNBWGFXHJYHY-VZRGJMDUSA-N
Instrument Name SF = 300 MHz
Literature Reference L.J. Reynolds, B.P. Morgan, G.A.Hite, J. Am. Chem. Soc. 110, 5172 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3