Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H16N6O4/c1-27-17(25)11-3-5-15(13(7-11)9-21-23-19)16-6-4-12(18(26)28-2)8-14(16)10-22-24-20/h3-8H,9-10H2,1-2H3
SMILES [N-]=[N+]=NCc1cc(ccc1c1ccc(cc1CN=[N+]=[N-])C(=O)OC)C(=O)OC
InChI Key LJDBRGWTXSWYJL-UHFFFAOYSA-N
Molecular Formula C18H16N6O4
Exact Mass 380.357 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LJDBRGWTXSWYJL-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/LJDBRGWTXSWYJL-UHFFFAOYSA-N/CHMO0000470
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-05
Related Molecule
  • methyl 3-(azidomethyl)-4-[2-(azidomethyl)-4-methoxycarbonylphenyl]benzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681434 pubchem
    The data in this table is sourced from UniChem at EBI.