Dataset

4-CHLORO-3-NITROBENZOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002648 contains the MS mass spectrum of 4-CHLORO-3-NITROBENZOIC ACID METHYL ESTER with the InChIkey XRTKWPWDSUNLHS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
SMILES COC(=O)c(c1)cc([N+1]([O-1])=O)c(Cl)c1
InChI Key XRTKWPWDSUNLHS-UHFFFAOYSA-N
Molecular Formula C8H6ClNO4
Exact Mass 214.999 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-JP002648
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-chloro-3-nitrobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL5564706 chembl
    51755 surechembl
    735797 pubchem
    H6A9MD9VBK fdasrs
    NIWSOC CCDC
    DTXSID40352833 comptox
    Molport-000-657-275 molport
    The data in this table is sourced from UniChem at EBI.