Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H9Cl3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3
SMILES COC(=O)c1c(Cl)c(C(=O)OC)c(c(c1Cl)C(=O)OC)Cl
InChI Key YDTPGQNDWOTCLE-UHFFFAOYSA-N
Molecular Formula C12H9Cl3O6
Exact Mass 355.555 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YDTPGQNDWOTCLE-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/YDTPGQNDWOTCLE-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-05
Related Molecule
  • trimethyl 2,4,6-trichlorobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169448341 PubChem
    The data in this table is sourced from UniChem at EBI.