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(2E)-1-(2-Bromo-4,5-dimethoxyphenyl)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
SpectraBase Compound ID Jj0bDjs00RQ
InChI InChI=1S/C20H19BrO7/c1-23-15-8-12(13(21)9-16(15)24-2)14(22)6-5-11-7-17(25-3)19-20(18(11)26-4)28-10-27-19/h5-9H,10H2,1-4H3/b6-5+
InChIKey KINAKVXVXNJVKP-AATRIKPKSA-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 FwPSiYLXylx
Name (2E)-1-(2-Bromo-4,5-dimethoxyphenyl)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
Appearance Yellow solid
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Formula C20H19BrO7
InChI InChI=1S/C20H19BrO7/c1-23-15-8-12(13(21)9-16(15)24-2)14(22)6-5-11-7-17(25-3)19-20(18(11)26-4)28-10-27-19/h5-9H,10H2,1-4H3/b6-5+
InChIKey KINAKVXVXNJVKP-AATRIKPKSA-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)c(cc(c(c1)OC)OC)C(\C=C\c1c(c2OCOc2c(c1)OC)OC)=O
SPLASH splash10-004l-6930200000-252f86f574e686da5cc1
Source of Spectrum G4-79-1434-6cg
Wiley ID 1849345