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6-Bromo-3-(3',4'-dimethoxybenzoyl)coumarin
SpectraBase Compound ID 13vzTDKuV7l
InChI InChI=1S/C18H13BrO5/c1-22-15-5-3-10(9-16(15)23-2)17(20)13-8-11-7-12(19)4-6-14(11)24-18(13)21/h3-9H,1-2H3
InChIKey SAZDAFHUTYYSTP-UHFFFAOYSA-N
Mol Weight 389.2 g/mol
Molecular Formula C18H13BrO5
Exact Mass 387.994637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F96tTWSGfAx
Name 6-Bromo-3-(3',4'-dimethoxybenzoyl)coumarin
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13BrO5
InChI InChI=1S/C18H13BrO5/c1-22-15-5-3-10(9-16(15)23-2)17(20)13-8-11-7-12(19)4-6-14(11)24-18(13)21/h3-9H,1-2H3
InChIKey SAZDAFHUTYYSTP-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.1021/jm400546y
Molecular Weight 389.201 g/mol
SMILES c1(cc2c(cc1)OC(C(=C2)C(=O)c1ccc(c(c1)OC)OC)=O)Br
SPLASH splash10-014u-2709000000-506677e6f1315741d297
Source of Spectrum AF-56-6142-1g
Wiley ID 1854562