Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO2/c1-14-10-6-7-11-9(8-10)4-3-5-12(11)13-15-2/h6-8H,3-5H2,1-2H3/b13-12-
SMILES CO/N=C\1/CCCc2c1ccc(c2)OC
InChI Key VUWWOMAFWYFFIK-SEYXRHQNSA-N
Molecular Formula C12H15NO2
Exact Mass 205.253 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VUWWOMAFWYFFIK-SEYXRHQNSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/VUWWOMAFWYFFIK-SEYXRHQNSA-N/CHMO0000470
Version
Author Simon Oßwald
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-08-22
Related Molecule
  • (Z)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31154857 surechembl
    14918156 pubchem
    The data in this table is sourced from UniChem at EBI.