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3,4-(Methylenedioxy)phenylacetonitrile

View entire compound with spectra: 5 NMR, 3 FTIR, 1 Raman, and 5 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Q4IIHtlvcw
Name 3,4-Methylenedioxyphenylacetonitrile
Alternate Name(s) 1,3-Benzodioxol-5-ylacetonitrile 1,3-Benzodioxole-5-acetonitrile 2-(1,3-benzodioxol-5-yl)acetonitrile 2-(1,3-benzodioxol-5-yl)ethanenitrile
CAS Registry Number 4439-02-5
Copyright Copyright © 2020-2024 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
Molecular Weight 161.160 g/mol
SMILES C(#N)Cc1cc2OCOc2cc1
SPLASH splash10-03di-0900000000-ed24543df91e6fd6f7bf
Source of Spectrum F-52-8617-4
Wiley ID 797194