Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C19H18O2/c1-13-16(10-11-19(13)20)18-9-4-3-8-17(18)14-6-5-7-15(12-14)21-2/h3-9,12H,10-11H2,1-2H3
SMILES COc1cccc(c1)c1ccccc1C1=C(C)C(=O)CC1
InChI Key LLVIIJBULQHTHX-UHFFFAOYSA-N
Exact Mass 278.345 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LLVIIJBULQHTHX-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/LLVIIJBULQHTHX-UHFFFAOYSA-N/CHMO0000485
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-24
Related Molecule
  • nfdi4chem-mol7438 (Unknown Molecule)
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.