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5-(4-CYANOBENZOYL)-1,3-DIOXANE

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5-(4-CYANOBENZOYL)-1,3-DIOXANE
SpectraBase Compound ID JCkweCWJQYj
InChI InChI=1S/C12H11NO3/c13-5-9-1-3-10(4-2-9)12(14)11-6-15-8-16-7-11/h1-4,11H,6-8H2
InChIKey GTTHGKULILOGGH-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xARIprlAwe
Name 5-(4-CYANOBENZOYL)-1,3-DIOXANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c13-5-9-1-3-10(4-2-9)12(14)11-6-15-8-16-7-11/h1-4,11H,6-8H2
InChIKey GTTHGKULILOGGH-UHFFFAOYSA-N
Literature Reference Author A.DENIS,M.DELMAS,A.GASET,J.P.GORRICHON
Literature Reference Citation CAN.J.CHEM.,60,1962(1982)
Literature Reference DOI 10.1139/v82-275
Molecular Weight 217.224 g/mol
Solvent CDCl3
Source File Reference UWED1161