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3-Cyanocoumarin

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, 1 UV-Vis, and 3 MS (GC)

3-Cyanocoumarin
SpectraBase Compound ID BqdOoGORZSH
InChI InChI=1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H
InChIKey QKJALQPLNMEDAV-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 BiJmieqBoxy
Name 3-Cyanocoumarin
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5NO2
InChI InChI=1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H
InChIKey QKJALQPLNMEDAV-UHFFFAOYSA-N
Molecular Weight 171.155 g/mol
SMILES C1(Oc2ccccc2C=C1C#N)=O
SPLASH splash10-00dl-2900000000-fd284d3d7357dd08b2be
Source of Spectrum KC-61-7984-4
Synonyms 2-Ketochromene-3-carbonitrile 2-Oxidanylidenechromene-3-carbonitrile 2-Oxo-2H-chromene-3-carbonitrile 2-Oxo-1-benzopyran-3-carbonitrile 2-Oxochromene-3-carbonitrile
Wiley ID 1630151