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(trans)-coniferyl alcohol - dibenzoate
SpectraBase Compound ID LEFwpRZi3Ij
InChI InChI=1S/C24H20O5/c1-27-22-17-18(9-8-16-28-23(25)19-10-4-2-5-11-19)14-15-21(22)29-24(26)20-12-6-3-7-13-20/h2-15,17H,16H2,1H3/b9-8+
InChIKey ZQHWUNVBQCZOCK-CMDGGOBGSA-N
Mol Weight 388.42 g/mol
Molecular Formula C24H20O5
Exact Mass 388.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QYYiNbVEdp
Name (trans)-coniferyl alcohol - dibenzoate
Alternate Name(s) 3-[4'-(Benzoyloxy)-3'-methoxyphenyl]-2'-propenyl Benzoate 4-[(1E)-3-(benzoyloxy)-1-propenyl]-2-methoxyphenyl benzoate
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Formula C24H20O5
InChI InChI=1S/C24H20O5/c1-27-22-17-18(9-8-16-28-23(25)19-10-4-2-5-11-19)14-15-21(22)29-24(26)20-12-6-3-7-13-20/h2-15,17H,16H2,1H3/b9-8+
InChIKey ZQHWUNVBQCZOCK-CMDGGOBGSA-N
Molecular Weight 388.419 g/mol
SMILES C(Oc1c(cc(\C=C\COC(=O)c2ccccc2)cc1)OC)(=O)c1ccccc1
SPLASH splash10-0554-7905000000-2162b4eb27fd42dfec59
Source of Spectrum X4-20-147-0
Wiley ID 1585680