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6-Methyl-4-oxo-2-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carbonitrile
SpectraBase Compound ID 9rzLNjmoLXe
InChI InChI=1S/C17H12BrNO2/c1-10-2-7-15-13(8-10)16(20)14(9-19)17(21-15)11-3-5-12(18)6-4-11/h2-8,14,17H,1H3
InChIKey NKFSLZHEGOQVLA-UHFFFAOYSA-N
Mol Weight 342.19 g/mol
Molecular Formula C17H12BrNO2
Exact Mass 341.005142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJ4uVC0kNji
Name 6-Methyl-4-oxo-2-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carbonitrile
Alternate Name(s) 2-(4-bromophenyl)-6-methyl-4-oxochroman-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12BrNO2
InChI InChI=1S/C17H12BrNO2/c1-10-2-7-15-13(8-10)16(20)14(9-19)17(21-15)11-3-5-12(18)6-4-11/h2-8,14,17H,1H3
InChIKey NKFSLZHEGOQVLA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200700581
Molecular Weight 342.192 g/mol
SMILES C1(C(C(c2cc(ccc2O1)C)=O)C#N)c1ccc(cc1)Br
SPLASH splash10-001i-2902000000-efaa0c3d02aab317a62f
Source of Spectrum ASC-350-817/SM6-4e+4e'
Wiley ID 1766159