Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H13NO3/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C
InChI Key NHLOBHNRBWKNIO-UHFFFAOYSA-N
Molecular Formula C11H13NO3
Exact Mass 207.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NHLOBHNRBWKNIO-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/NHLOBHNRBWKNIO-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-09-10
Related Molecule
  • ethyl 4-acetamidobenzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4289783 surechembl
    220420 pubchem
    XODXAR CCDC
    Molport-001-025-941 molport
    The data in this table is sourced from UniChem at EBI.