Dataset

1,3-DIETHYLBENZENE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012274 contains the MS mass spectrum of 1,3-DIETHYLBENZENE with the InChIkey AFZZYIJIWUTJFO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
SMILES CCc(c1)cc(CC)cc1
InChI Key AFZZYIJIWUTJFO-UHFFFAOYSA-N
Molecular Formula C10H14
Exact Mass 134.110 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-JP012274
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1,3-diethylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000001691006 ZINC
    MCULE-2327529578 Mcule
    J5.809B Nikkaji
    DTXSID1022003 EPA CompTox Dashboard
    CB7375567 ChemicalBook
    SCHEMBL166894 SureChEMBL
    ZM2X7I1G8Y FDA SRS
    75428 NMRShiftDB
    CB2194008 ChemicalBook
    141-93-5 ACToR
    68584-01-0 ACToR
    14891533 PubChem: Thomson Pharma
    8864 PubChem
    497375 eMolecules
    The data in this table is sourced from UniChem at EBI.