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4-[2-(2,6-Dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenol, 2ac derivative
SpectraBase Compound ID 8NdLAXyHO2e
InChI InChI=1S/C25H30O8/c1-8-9-18-12-22(29-6)25(23(13-18)30-7)31-15(2)24(33-17(4)27)19-10-11-20(32-16(3)26)21(14-19)28-5/h8,10-15,24H,1,9H2,2-7H3
InChIKey BFYDTEUVGMCOJP-UHFFFAOYSA-N
Mol Weight 458.51 g/mol
Molecular Formula C25H30O8
Exact Mass 458.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lXY5Fd1EMx
Name 4-[2-(2,6-Dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenol, 2ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 458.194067918 u
Formula C25H30O8
InChI InChI=1S/C25H30O8/c1-8-9-18-12-22(29-6)25(23(13-18)30-7)31-15(2)24(33-17(4)27)19-10-11-20(32-16(3)26)21(14-19)28-5/h8,10-15,24H,1,9H2,2-7H3
InChIKey BFYDTEUVGMCOJP-UHFFFAOYSA-N
Molecular Weight 458.507 g/mol
SMILES C(C)(OC1=C(C=C(C=C1OC)CC=C)OC)C(OC(=O)C)C1=CC=C(OC(C)=O)C(OC)=C1