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4-(2-keto-5,7-dimethoxy-chromene-3-carbonyl)benzonitrile
SpectraBase Compound ID JvGuPrb2CXB
InChI InChI=1S/C19H13NO5/c1-23-13-7-16(24-2)14-9-15(19(22)25-17(14)8-13)18(21)12-5-3-11(10-20)4-6-12/h3-9H,1-2H3
InChIKey JAMIBQRHZIWFOT-UHFFFAOYSA-N
Mol Weight 335.32 g/mol
Molecular Formula C19H13NO5
Exact Mass 335.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAeoP41Rv8p
Name 4-(2-keto-5,7-dimethoxy-chromene-3-carbonyl)benzonitrile
Alternate Name(s) 4-(5,7-dimethoxy-2-oxidanylidene-chromen-3-yl)carbonylbenzenecarbonitrile 4-(5,7-dimethoxy-2-oxo-chromene-3-carbonyl)benzonitrile 4-[(5,7-dimethoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]benzonitrile
CAS Registry Number 83179-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13NO5
InChI InChI=1S/C19H13NO5/c1-23-13-7-16(24-2)14-9-15(19(22)25-17(14)8-13)18(21)12-5-3-11(10-20)4-6-12/h3-9H,1-2H3
InChIKey JAMIBQRHZIWFOT-UHFFFAOYSA-N
Molecular Weight 335.315 g/mol
SMILES COc1c2c(cc(c1)OC)OC(=O)C(=C2)C(=O)c1ccc(C#N)cc1
SPLASH splash10-0019-0349000000-97b354f3664afb0bf2e6
Source of Spectrum F-38-1210-0
Wiley ID 1331698