Dataset

5-CHLORO-2-NITROBENZOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002647 contains the MS mass spectrum of 5-CHLORO-2-NITROBENZOIC ACID METHYL ESTER with the InChIkey JGBJHRKCUKTQOE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
SMILES COC(=O)c(c1)c(ccc(Cl)1)[N+1]([O-1])=O
InChI Key JGBJHRKCUKTQOE-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-JP002647
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 5-chloro-2-nitrobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.