Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H12N2O8/c1-25-15(19)9-3-5-11(13(7-9)17(21)22)12-6-4-10(16(20)26-2)8-14(12)18(23)24/h3-8H,1-2H3
SMILES COC(=O)c1ccc(c(c1)N(=O)=O)c1ccc(cc1N(=O)=O)C(=O)OC
InChI Key MVYBOCLZWGBZBT-UHFFFAOYSA-N
Molecular Formula C16H12N2O8
Exact Mass 360.275 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MVYBOCLZWGBZBT-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/MVYBOCLZWGBZBT-UHFFFAOYSA-N/Mass
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-04-09
Related Molecule
  • methyl 4-(4-methoxycarbonyl-2-nitrophenyl)-3-nitrobenzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30863327 surechembl
    2793753 pubchem
    VOBBEV CCDC
    The data in this table is sourced from UniChem at EBI.