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8-tert-Butyl-3-cyanocoumarin
SpectraBase Compound ID EdAQy5PuY7I
InChI InChI=1S/C14H13NO2/c1-14(2,3)11-6-4-5-9-7-10(8-15)13(16)17-12(9)11/h4-7H,1-3H3
InChIKey LFIHOMYYVAKQEJ-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVpJ8VM6fmZ
Name 8-tert-Butyl-3-cyanocoumarin
Alternate Name(s) 8-tert-Butyl-2-oxo-2H-chromene-3-carbonitrile 8-tert-Butyl-2-oxo-1-benzopyran-3-carbonitrile 8-tert-Butyl-2-oxochromene-3-carbonitrile 8-tert-Butyl-2-oxo-chromene-3-carbonitrile 8-tert-Butyl-2-oxidanylidene-chromene-3-carbonitrile
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Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c1-14(2,3)11-6-4-5-9-7-10(8-15)13(16)17-12(9)11/h4-7H,1-3H3
InChIKey LFIHOMYYVAKQEJ-UHFFFAOYSA-N
Molecular Weight 227.263 g/mol
SMILES C1(Oc2c(cccc2C=C1C#N)C(C)(C)C)=O
SPLASH splash10-03e9-0790000000-ee922aac9cb05ac30009
Source of Spectrum C5-2003-2333-5
Wiley ID 1616078