Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H17NO3/c1-3-21-17(20)15-6-4-13(5-7-15)14-8-10-16(11-9-14)18-12(2)19/h4-11H,3H2,1-2H3,(H,18,19)
SMILES CCOC(=O)c1ccc(cc1)c1ccc(cc1)NC(=O)C
InChI Key KLUPEIFGVJLRNQ-UHFFFAOYSA-N
Molecular Formula C17H17NO3
Exact Mass 283.322 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KLUPEIFGVJLRNQ-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/KLUPEIFGVJLRNQ-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-07-17
Related Molecule
  • ethyl 4-(4-acetamidophenyl)benzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134688952 pubchem
    The data in this table is sourced from UniChem at EBI.