Dataset

4-CHLOROBENZOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002632 contains the MS mass spectrum of 4-CHLOROBENZOIC ACID METHYL ESTER with the InChIkey LXNFVVDCCWUUKC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
SMILES COC(=O)c(c1)ccc(Cl)c1
InChI Key LXNFVVDCCWUUKC-UHFFFAOYSA-N
Molecular Formula C8H7ClO2
Exact Mass 170.013 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-JP002632
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-chlorobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    196916 surechembl
    14307 pubchem
    M0U80J80VA fdasrs
    YAVWIB CCDC
    DTXSID5022148 comptox
    Molport-001-768-063 molport
    The data in this table is sourced from UniChem at EBI.