Dataset

gas chromatography-mass spectrometry (GCMS)

dataset for gas chromatography-mass spectrometry (GCMS)

Chemical Information

molecular Image
InChI InChI=1S/C16H14O5/c1-19-14-8-3-11(10-17)9-15(14)21-13-6-4-12(5-7-13)16(18)20-2/h3-10H,1-2H3
SMILES COC(=O)c1ccc(cc1)Oc1cc(C=O)ccc1OC
InChI Key ARZPQKBNDHDXHC-UHFFFAOYSA-N
Molecular Formula C16H14O5
Exact Mass 286.279 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ARZPQKBNDHDXHC-UHFFFAOYSA-N/Mass/GCMS.1
License URL
Source https://www.chemotion-repository.net/inchikey/ARZPQKBNDHDXHC-UHFFFAOYSA-N/Mass/GCMS.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-19
Related Molecule
  • methyl 4-(5-formyl-2-methoxyphenoxy)benzoate
    • Field Value
    Measurement Technique gas chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16194604 PubChem: Thomson Pharma
    70000877 NMRShiftDB
    11119685 PubChem
    J1.844.543C Nikkaji
    ZINC000014502235 ZINC
    The data in this table is sourced from UniChem at EBI.