Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO3/c1-3-13-11(14)9-5-7-10(8-6-9)12(15)16-4-2/h5-8H,3-4H2,1-2H3,(H,13,14)
SMILES CCNC(=O)c1ccc(cc1)C(=O)OCC
InChI Key AUTDBLDMAFLPOF-UHFFFAOYSA-N
Molecular Formula C12H15NO3
Exact Mass 221.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AUTDBLDMAFLPOF-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/AUTDBLDMAFLPOF-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-11
Related Molecule
  • ethyl 4-(ethylcarbamoyl)benzoate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9671988 surechembl
    67903205 pubchem
    The data in this table is sourced from UniChem at EBI.