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4,4'-(heptamethylenedioxy)dibenzonitrile
SpectraBase Compound ID 5xjnOzr6LgE
InChI InChI=1S/C21H22N2O2/c22-16-18-6-10-20(11-7-18)24-14-4-2-1-3-5-15-25-21-12-8-19(17-23)9-13-21/h6-13H,1-5,14-15H2
InChIKey BRNNRKLKBPZNJF-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWe2bSpYU59
Name 4,4'-(heptamethylenedioxy)dibenzonitrile
Source of Sample P. Reynaud, Faculty of Pharmacy, University of Paris, France
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Formula C21H22N2O2
InChI InChI=1S/C21H22N2O2/c22-16-18-6-10-20(11-7-18)24-14-4-2-1-3-5-15-25-21-12-8-19(17-23)9-13-21/h6-13H,1-5,14-15H2
InChIKey BRNNRKLKBPZNJF-UHFFFAOYSA-N
Instrument Name Varian A-60
Literature Reference Abstract-Chemical Abstracts= 62, 7676(1965)
Sadtler NMR Number 394M
Solvent CDCl3
Synonyms BENZONITRILE, 4,4PR-/HEPTA- METHYLENEDIOXY/DI-,