Piperonylonitrile

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Systematic / IUPAC Name: 1,3-Benzodioxole-5-carbonitrile

ID: Reference2545

Other Names: 3,4-Methylenedioxybenzonitrile;
Benzo-1,3-dioxole-5-carbonitrile;
Benzonitrile, 3,4-methylenedioxy-;
Benzo[d][1,3]dioxole-5-carbonitrile;
2H-Benzo[d]1,3-dioxolane-5-carbonitrile

Formula: C8H5NO2

Spectral Data

Piperonylonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/31/2015 10:18:58 AM
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Identificators

InChI InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
InChI Key PKRWWZCDLJSJIF-UHFFFAOYSA-N
Canonical SMILES C1OC2=C(O1)C=C(C=C2)C#N
CAS 4421094
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Other Names 3,4-Methylenedioxybenzonitrile;
Benzo-1,3-dioxole-5-carbonitrile;
Benzonitrile, 3,4-methylenedioxy-;
Benzo[d][1,3]dioxole-5-carbonitrile;
2H-Benzo[d]1,3-dioxolane-5-carbonitrile

In Other Databases

ChemSpider 70512
ChemIDPlus 004421094
PubChem 78136