Dataset

2,6-DIMETHYLTEREPHTALONITRILE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009669 contains the MS mass spectrum of 2,6-DIMETHYLTEREPHTALONITRILE with the InChIkey VODNMFZZKATZHT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8N2/c1-7-3-9(5-11)4-8(2)10(7)6-12/h3-4H,1-2H3
SMILES N#Cc(c1)cc(C)c(C#N)c(C)1
InChI Key VODNMFZZKATZHT-UHFFFAOYSA-N
Molecular Formula C10H8N2
Exact Mass 156.069 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP009669
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2,6-dimethylbenzene-1,4-dicarbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J354.618G Nikkaji
    ZINC000039642480 ZINC
    DTXSID40539581 EPA CompTox Dashboard
    SCHEMBL2153883 SureChEMBL
    13401251 PubChem
    The data in this table is sourced from UniChem at EBI.