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(2E)-1-(6-Bromo-7-methoxy-4-methoxy-2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
SpectraBase Compound ID 9Xm0K4l90ni
InChI InChI=1S/C20H19BrO7/c1-23-13-8-6-11(9-14(13)24-2)5-7-12(22)15-16(21)18(26-4)20-19(17(15)25-3)27-10-28-20/h5-9H,10H2,1-4H3/b7-5+
InChIKey NIFJHIIBXLBXOL-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 Fix0kEhzPd8
Name (2E)-1-(6-Bromo-7-methoxy-4-methoxy-2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(26-4)20-19(17(15)25-3)27-10-28-20/h5-9H,10H2,1-4H3/b7-5+
InChIKey NIFJHIIBXLBXOL-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)c(c(c2OCOc2c1OC)OC)C(\C=C\c1cc(c(cc1)OC)OC)=O
SPLASH splash10-0w29-0616900000-1eab0460dc1852d409b7
Source of Spectrum G4-79-1435-6gc
Wiley ID 1849349