Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3
SMILES CCCCCCCCC(=O)c1ccco1
InChI Key IVMLTMNCNAILQF-UHFFFAOYSA-N
Molecular Formula C13H20O2
Exact Mass 208.297 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IVMLTMNCNAILQF-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/IVMLTMNCNAILQF-UHFFFAOYSA-N/CHMO0000498
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • 1-(furan-2-yl)nonan-1-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4382929 surechembl
    3779043 pubchem
    The data in this table is sourced from UniChem at EBI.