Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C22H19NO4/c1-26-21(24)16-7-3-14(4-8-16)18-11-12-19(20(23)13-18)15-5-9-17(10-6-15)22(25)27-2/h3-13H,23H2,1-2H3
SMILES COC(=O)c1ccc(cc1)c1ccc(c(c1)N)c1ccc(cc1)C(=O)OC
InChI Key WYBXIMMFDVNQOV-UHFFFAOYSA-N
Molecular Formula C22H19NO4
Exact Mass 361.391 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WYBXIMMFDVNQOV-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/WYBXIMMFDVNQOV-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-07-12
Related Molecule
  • methyl 4-[3-amino-4-(4-methoxycarbonylphenyl)phenyl]benzoate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16712674 surechembl
    118072190 pubchem
    Molport-047-310-436 molport
    The data in this table is sourced from UniChem at EBI.