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6-(2-(1,3-Dioxan-2-yl)ethyl)nicotinonitrile
SpectraBase Compound ID BPLaDmJWyQC
InChI InChI=1S/C12H14N2O2/c13-8-10-2-3-11(14-9-10)4-5-12-15-6-1-7-16-12/h2-3,9,12H,1,4-7H2
InChIKey XJLHGFGTPWLEJL-UHFFFAOYSA-N
Mol Weight 218.26 g/mol
Molecular Formula C12H14N2O2
Exact Mass 218.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wW7v0yAe7U
Name 6-(2-(1,3-Dioxan-2-yl)ethyl)nicotinonitrile
Appearance White solid
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Formula C12H14N2O2
InChI InChI=1S/C12H14N2O2/c13-8-10-2-3-11(14-9-10)4-5-12-15-6-1-7-16-12/h2-3,9,12H,1,4-7H2
InChIKey XJLHGFGTPWLEJL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201914490
Molecular Weight 218.256 g/mol
Reported Formula C12H14N2O2
SMILES c1(ccc(nc1)CCC1OCCCO1)C#N
SPLASH splash10-001r-3900000000-03d1bdf1461ce7844e2f
Source of Spectrum ACI-59-SM12-3a
Wiley ID 1857646