Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C19H16O/c1-2-3-4-5-7-12-17-13-10-11-16-19(17)20-18-14-8-6-9-15-18/h1,6,8-11,13-16H,3-5H2
SMILES C#CCCCC#Cc1ccccc1Oc1ccccc1
InChI Key KCKMKKGDKVEJAO-UHFFFAOYSA-N
Molecular Formula C19H16O
Exact Mass 260.330 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KCKMKKGDKVEJAO-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/KCKMKKGDKVEJAO-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-16
Related Molecule
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    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.