Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C19H19NO/c1-2-12-20-14-17(16-10-6-7-11-18(16)20)19(21)13-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3
SMILES CCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1
InChI Key YCCNPEPCSVMSFE-UHFFFAOYSA-N
Molecular Formula C19H19NO
Exact Mass 277.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YCCNPEPCSVMSFE-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/YCCNPEPCSVMSFE-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-01-24
Related Molecule
  • 2-phenyl-1-(1-propylindol-3-yl)ethanone
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    136610785 pubchem
    The data in this table is sourced from UniChem at EBI.