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3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)acrylonitrile
SpectraBase Compound ID 3B3qNAlIjSK
InChI InChI=1S/C11H9NO2/c12-5-1-2-9-3-4-10-11(8-9)14-7-6-13-10/h1-4,8H,6-7H2
InChIKey DMIVWCZUNHBYPX-UHFFFAOYSA-N
Mol Weight 187.2 g/mol
Molecular Formula C11H9NO2
Exact Mass 187.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vBtYcYnZtV
Name 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)acrylonitrile
Appearance Colorless solid
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Formula C11H9NO2
InChI InChI=1S/C11H9NO2/c12-5-1-2-9-3-4-10-11(8-9)14-7-6-13-10/h1-4,8H,6-7H2
InChIKey DMIVWCZUNHBYPX-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 187.198 g/mol
Reported Formula C11H8NO2
SMILES c1cc(cc2OCCOc12)C=CC#N
SPLASH splash10-000i-0900000000-8e08dab9a56b574fd9b1
Sample Comments E/Z = 83:17
Source of Spectrum ACI-60-SM53-5c
Wiley ID 1880404