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4-(Benzo[d][1,3]dioxol-5-yl)benzonitrile
SpectraBase Compound ID Edcr70oO4l7
InChI InChI=1S/C14H9NO2/c15-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)17-9-16-13/h1-7H,9H2
InChIKey ZOKGEKJCKYBKMA-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C14H9NO2
Exact Mass 223.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3BHiyqmMC9
Name 4-(Benzo[d][1,3]dioxol-5-yl)benzonitrile
Appearance White solid
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Exact Mass 223.063328532 u
Formula C14H9NO2
InChI InChI=1S/C14H9NO2/c15-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)17-9-16-13/h1-7H,9H2
InChIKey ZOKGEKJCKYBKMA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201610324
Molecular Weight 223.231 g/mol
Quality 107
Reported Formula C14H9NO2
SMILES C12=CC(=CC=C2OCO1)C1=CC=C(C=C1)C#N
SPLASH splash10-00di-0290000000-2316ed233062ff64560f
Source of Spectrum ACI-56-SM10-2e (DOI: 10.1002/anie.201610324)
Wiley ID 1892824