Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H16N2O6S2/c1-3-25-17(23)11-13(21)19-15(27-11)9-6-5-7-10(8-9)16-20-14(22)12(28-16)18(24)26-4-2/h5-8,21-22H,3-4H2,1-2H3
SMILES CCOC(=O)c1sc(nc1O)c1cccc(c1)c1nc(c(s1)C(=O)OCC)O
InChI Key VQNXTBFBRGTADB-UHFFFAOYSA-N
Molecular Formula C18H16N2O6S2
Exact Mass 420.459 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VQNXTBFBRGTADB-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/VQNXTBFBRGTADB-UHFFFAOYSA-N/CHMO0000470
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-10-20
Related Molecule
  • ethyl 2-[3-(5-ethoxycarbonyl-4-hydroxy-1,3-thiazol-2-yl)phenyl]-4-hydroxy-1,3-thiazole-5-carboxylate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    156619917 PubChem
    The data in this table is sourced from UniChem at EBI.