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2-ketochromene-4-carbonitrile
SpectraBase Compound ID KK8nkRbTJ8E
InChI InChI=1S/C10H5NO2/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-5H
InChIKey JZHIRLLIDOTAHO-UHFFFAOYSA-N
Mol Weight 171.15 g/mol
Molecular Formula C10H5NO2
Exact Mass 171.032028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5O39vcvBRZr
Name 2-Oxo-2H-benzopyran-4-carbonitrile
Alternate Name(s) 4-ketochromene-2-carbonitrile 4-oxidanylidenechromene-2-carbonitrile 4-oxo-1-benzopyran-2-carbonitrile 4-oxo-4H-chromene-2-carbonitrile 4-oxochromene-2-carbonitrile Chromone-2-carbonitrile Chromone-4-carbonitrile 2-oxo-1-benzopyran-4-carbonitrile 2-oxochromene-4-carbonitrile 2-oxidanylidenechromene-4-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C10H5NO2
InChI InChI=1S/C10H5NO2/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-5H
InChIKey JZHIRLLIDOTAHO-UHFFFAOYSA-N
Molecular Weight 171.155 g/mol
SMILES C1(=CC(=O)Oc2c1cccc2)C#N
SPLASH splash10-00dl-0900000000-b6c1a28bb406658e6d70
Source of Spectrum SO-0-312-5
Wiley ID 1537964