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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bg24UEyLZPr
Name 3,4-(Methylenedioxy)phenylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 145300
CAS Registry Number 4439-02-5
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2
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
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3-Benzodioxole-5-acetonitrile Homopiperonylnitrile
Wiley ID SIAL_13CNMR_001327