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Isophthalonitrile
SpectraBase Compound ID IL9ck6k9FJ2
InChI InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChIKey LAQPNDIUHRHNCV-UHFFFAOYSA-N
Mol Weight 128.13 g/mol
Molecular Formula C8H4N2
Exact Mass 128.037448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TYi8QqKk4F
Name 1,3-Benzenedicarbonitrile
Alternate Name(s) 1,3-Benzendikarbonitril 1,3-Benzodinitrile 1,3-Dicyanobenzene 3-Cyanobenzonitrile Benzene-1,3-dicarbonitrile Dinitrile of isophthalic acid IPN Isoftalodinitril Isophthalonitrile Isoftalonitril Isophtalonitrile Isophthalodinitrile m-Benzenedinitrile m-Cyanobenzonitrile m-Dicyanobenzene M-PDN m-Phthalodinitrile Nitril kyseliny isoftalove AI3-25034 CCRIS 4132 EINECS 210-933-7 HSDB 5724 NSC 87880
CAS Registry Number 626-17-5
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Formula C8H4N2
InChI InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChIKey LAQPNDIUHRHNCV-UHFFFAOYSA-N
Molecular Weight 128.134 g/mol
SMILES C(c1cc(C#N)ccc1)#N
SPLASH splash10-004i-1900000000-9cd064caeea1294e470f
Source of Spectrum JX-2015-6-8396
Wiley ID 1729918