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{3-[(5'-Fluoro-2',4-dihydroxy-1,1'-biphenyl-3-yl)carbonyl]-2-methyl-1-benzofuran-5-yl}acetonitrile
SpectraBase Compound ID 1ccad97AzQA
InChI InChI=1S/C24H16FNO4/c1-13-23(19-10-14(8-9-26)2-7-22(19)30-13)24(29)18-11-15(3-5-21(18)28)17-12-16(25)4-6-20(17)27/h2-7,10-12,27-28H,8H2,1H3
InChIKey LQJXXQGZCXABJF-UHFFFAOYSA-N
Mol Weight 401.39 g/mol
Molecular Formula C24H16FNO4
Exact Mass 401.106336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNPvhhndNxg
Name {3-[(5'-Fluoro-2',4-dihydroxy-1,1'-biphenyl-3-yl)carbonyl]-2-methyl-1-benzofuran-5-yl}acetonitrile
Alternate Name(s) 2-(3-(5'-fluoro-2',4-dihydroxy-[1,1'-biphenyl]-3-carbonyl)-2-methylbenzofuran-5-yl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16FNO4
InChI InChI=1S/C24H16FNO4/c1-13-23(19-10-14(8-9-26)2-7-22(19)30-13)24(29)18-11-15(3-5-21(18)28)17-12-16(25)4-6-20(17)27/h2-7,10-12,27-28H,8H2,1H3
InChIKey LQJXXQGZCXABJF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.201200275
Molecular Weight 401.393 g/mol
SMILES Oc1c(cc(-c2c(ccc(c2)F)O)cc1)C(=O)c1c(oc2c1cc(cc2)CC#N)C
SPLASH splash10-0ff0-0891400000-52e98fab265986519bd0
Source of Spectrum CBD-9-2630-10c
Wiley ID 1771064