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Piperonylonitrile

View entire compound with spectra: 5 NMR, 3 FTIR, 1 Raman, and 7 MS (GC)

Piperonylonitrile
SpectraBase Compound ID AQ0E01wDFeh
InChI InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
InChIKey PKRWWZCDLJSJIF-UHFFFAOYSA-N
Mol Weight 147.13 g/mol
Molecular Formula C8H5NO2
Exact Mass 147.032028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I30XwgwUAqe
Name 3,4-(METHYLENEDIOXY)BENZONITRILE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO2
InChI InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
InChIKey PKRWWZCDLJSJIF-UHFFFAOYSA-N
Melting Point 91-93C
Molecular Weight 147.13
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PIPERONYLONITRILE BENZONITRILE, 3,4-/METHYLENEDIOXY/-,