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(2E)-1-(4-Bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
SpectraBase Compound ID KdvxqavLevI
InChI InChI=1S/C20H19BrO7/c1-23-13-8-6-11(9-14(13)24-2)5-7-12(22)15-16(21)18-20(28-10-27-18)19(26-4)17(15)25-3/h5-9H,10H2,1-4H3/b7-5+
InChIKey YEZVWVCZABOWAV-FNORWQNLSA-N
Mol Weight 451.27 g/mol
Molecular Formula C20H19BrO7
Exact Mass 450.031416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CK5tIq9ZzlV
Name (2E)-1-(4-Bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Appearance Light yellow solid
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Formula C20H19BrO7
InChI InChI=1S/C20H19BrO7/c1-23-13-8-6-11(9-14(13)24-2)5-7-12(22)15-16(21)18-20(28-10-27-18)19(26-4)17(15)25-3/h5-9H,10H2,1-4H3/b7-5+
InChIKey YEZVWVCZABOWAV-FNORWQNLSA-N
Instrument Name Finnigan MAT/INCOS 50
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.6b00173
Molecular Weight 451.269 g/mol
SMILES c1(Br)c2OCOc2c(c(c1C(\C=C\c1cc(c(cc1)OC)OC)=O)OC)OC
SPLASH splash10-0gvo-2902300000-c0601f22a77d4047da4e
Source of Spectrum G4-79-1434-6fc
Wiley ID 1849348