Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H23N/c1-2-3-4-5-6-9-13-17-14-12-15-10-7-8-11-16(15)17/h7-8,10-12,14H,2-6,9,13H2,1H3
SMILES CCCCCCCCn1ccc2c1cccc2
InChI Key VOWUHKQBOIRNJT-UHFFFAOYSA-N
Molecular Formula C16H23N
Exact Mass 229.361 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VOWUHKQBOIRNJT-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/VOWUHKQBOIRNJT-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-01-30
Related Molecule
  • 1-octylindole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29767815 surechembl
    4976386 surechembl
    12827273 pubchem
    The data in this table is sourced from UniChem at EBI.