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4-keto-7-methyl-chromene-2-carbonitrile
SpectraBase Compound ID 7X94tQ8fOsI
InChI InChI=1S/C11H7NO2/c1-7-2-3-9-10(13)5-8(6-12)14-11(9)4-7/h2-5H,1H3
InChIKey ZHMQPQWBQMSIJM-UHFFFAOYSA-N
Mol Weight 185.18 g/mol
Molecular Formula C11H7NO2
Exact Mass 185.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0CAhkugOAe
Name 4-keto-7-methyl-chromene-2-carbonitrile
Alternate Name(s) 7-methyl-4-oxidanylidene-chromene-2-carbonitrile 7-methyl-4-oxo-1-benzopyran-2-carbonitrile 7-methyl-4-oxo-4H-chromene-2-carbonitrile 7-methyl-4-oxo-chromene-2-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C11H7NO2
InChI InChI=1S/C11H7NO2/c1-7-2-3-9-10(13)5-8(6-12)14-11(9)4-7/h2-5H,1H3
InChIKey ZHMQPQWBQMSIJM-UHFFFAOYSA-N
Molecular Weight 185.182 g/mol
SMILES C1(=CC(=O)c2ccc(cc2O1)C)C#N
SPLASH splash10-0a4r-0900000000-e38c3d59d58f2463ee8c
Source of Spectrum SO-0-312-5
Wiley ID 1537963