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6,8-Di-tert-Butyl-3-cyanocoumarin

View entire compound with spectra: 1 MS (GC)

6,8-Di-tert-Butyl-3-cyanocoumarin
SpectraBase Compound ID L6Vfxw3puph
InChI InChI=1S/C18H21NO2/c1-17(2,3)13-8-11-7-12(10-19)16(20)21-15(11)14(9-13)18(4,5)6/h7-9H,1-6H3
InChIKey LLMPVPSGUDTOJG-UHFFFAOYSA-N
Mol Weight 283.37 g/mol
Molecular Formula C18H21NO2
Exact Mass 283.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21Vqw2ykH84
Name 6,8-Di-tert-Butyl-3-cyanocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO2
InChI InChI=1S/C18H21NO2/c1-17(2,3)13-8-11-7-12(10-19)16(20)21-15(11)14(9-13)18(4,5)6/h7-9H,1-6H3
InChIKey LLMPVPSGUDTOJG-UHFFFAOYSA-N
Molecular Weight 283.371 g/mol
SMILES C1(Oc2c(cc(cc2C=C1C#N)C(C)(C)C)C(C)(C)C)=O
SPLASH splash10-014i-0090000000-451d9287c1c7d4db5ba1
Source of Spectrum C5-2003-2333-5
Synonyms 6,8-Ditert-butyl-2-oxo-2H-chromene-3-carbonitrile 6,8-Ditert-butyl-2-oxo-1-benzopyran-3-carbonitrile 6,8-Ditert-butyl-2-oxochromene-3-carbonitrile 6,8-Ditert-butyl-2-oxo-chromene-3-carbonitrile 6,8-Ditert-butyl-2-oxidanylidene-chromene-3-carbonitrile
Wiley ID 1616076