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3'-Bromo-6-carboxyflavonol
SpectraBase Compound ID IfoRbBTG6UK
InChI InChI=1S/C16H9BrO5/c17-10-3-1-2-8(6-10)15-14(19)13(18)11-7-9(16(20)21)4-5-12(11)22-15/h1-7,19H,(H,20,21)
InChIKey CQWMVSAKTPVMRP-UHFFFAOYSA-N
Mol Weight 361.15 g/mol
Molecular Formula C16H9BrO5
Exact Mass 359.963336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7SVfi7sKIZ
Name 3'-Bromo-6-carboxyflavonol
Alternate Name(s) 2-(3-Bromophenyl)-3-hydroxy-4-oxo-4h-chromene-6-carboxylic acid
Comments MONAID: JP000688
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9BrO5
InChI InChI=1S/C16H9BrO5/c17-10-3-1-2-8(6-10)15-14(19)13(18)11-7-9(16(20)21)4-5-12(11)22-15/h1-7,19H,(H,20,21)
InChIKey CQWMVSAKTPVMRP-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 361.147 g/mol
SMILES OC(c1cc2c(OC(=C(C2=O)O)c2cccc(c2)Br)cc1)=O
SPLASH splash10-0ik9-4902000000-102813e898017ac69c72
Source of Spectrum SRH-2022-688-0
Wiley ID 1823167