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3-(Bromocarbethoxymethyl)-4'-methoxyflavone
SpectraBase Compound ID IRa8r06q2CW
InChI InChI=1S/C20H17BrO5/c1-24-14-8-6-13(7-9-14)20-16(12-18(22)25-11-10-21)19(23)15-4-2-3-5-17(15)26-20/h2-9H,10-12H2,1H3
InChIKey KIXGNBXKYBITRR-UHFFFAOYSA-N
Mol Weight 417.26 g/mol
Molecular Formula C20H17BrO5
Exact Mass 416.025937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhB7VR4NSDE
Name 3-(Bromocarbethoxymethyl)-4'-methoxyflavone
CAS Registry Number 80907-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrO5
InChI InChI=1S/C20H17BrO5/c1-24-14-8-6-13(7-9-14)20-16(12-18(22)25-11-10-21)19(23)15-4-2-3-5-17(15)26-20/h2-9H,10-12H2,1H3
InChIKey KIXGNBXKYBITRR-UHFFFAOYSA-N
Molecular Weight 417.255 g/mol
SMILES C1(=C(Oc2c(C1=O)cccc2)c1ccc(cc1)OC)CC(=O)OCCBr
SPLASH splash10-03dr-0096000000-2ed2d4b4fe4fe12d2b91
Source of Spectrum J-47-1705-0
Synonyms 2-Bromoethyl[2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl]acetate
Wiley ID 1376231