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3,4-(Methylenedioxy)phenylacetonitrile

View entire compound with spectra: 5 NMR, 3 FTIR, 1 Raman, and 6 MS (GC)

3,4-(Methylenedioxy)phenylacetonitrile
SpectraBase Compound ID VFpqXOub8G
InChI InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2
InChIKey ZQPBOYASBNAXOZ-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eOlePT5bBo
Name [(3,4-METHYLENEDIOXY)PHENYL]ACETONITRILE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2
InChIKey ZQPBOYASBNAXOZ-UHFFFAOYSA-N
Melting Point 43-45C
Molecular Weight 161.16
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETONITRILE, //3,4-METHYLENEDIOXY/PHENYL/-,