Dataset

DIETHYL TEREPHTHALATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009665 contains the MS mass spectrum of DIETHYL TEREPHTHALATE with the InChIkey ONIHPYYWNBVMID-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
SMILES CCOC(=O)c(c1)ccc(c1)C(=O)OCC
InChI Key ONIHPYYWNBVMID-UHFFFAOYSA-N
Molecular Formula C12H14O4
Exact Mass 222.089 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-JP009665
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MetadataPublished 2016-01-19
Related Molecule
  • diethyl benzene-1,4-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12483 PubChem
    ZINC000001695304 ZINC
    N97X85L3CD FDA SRS
    DTXSID8060909 EPA CompTox Dashboard
    J38.974I Nikkaji
    DETEPH CCDC
    150079 Brenda
    CB7746112 ChemicalBook
    SCHEMBL87450 SureChEMBL
    14773596 PubChem: Thomson Pharma
    718038 eMolecules
    221949 Brenda
    636-09-9 ACToR
    The data in this table is sourced from UniChem at EBI.