1,3-Phenylenediacetonitrile

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Systematic / IUPAC Name: 2,2'-(1,3-Phenylene)diacetonitrile

ID: Reference4043

Other Names: m-Xylylene dicyanide;
(3-Cyanomethyl-phenyl)-acetonitrile;
m-Benzenediacetonitrile;
m-Bis(cyanomethyl)benzene;
m-Phenylenediacetonitrile ; more

Formula: C10H8N2

Spectral Data

1,3-Phenylenediacetonitrile 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 69
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/2/2016 2:16:29 PM
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Identificators

InChI InChI=1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2
InChI Key GRPFZJNUYXIVSL-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC(=C1)CC#N)CC#N
CAS 626222
Splash
Other Names m-Xylylene dicyanide;
(3-Cyanomethyl-phenyl)-acetonitrile;
m-Benzenediacetonitrile;
m-Bis(cyanomethyl)benzene;
m-Phenylenediacetonitrile;
1,3-Benzenediacetonitrile;
1,3-Bis(cyanomethyl)benzene;
2-[3-(Cyanomethyl)phenyl]acetonitrile;
Acetonitrile, m-phenylenedi-

In Other Databases

ChemIDPlus 000626222
PubChem 69375
ChemSpider 62583