Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H22O3/c1-3-4-10-18-14-11-16(14,2)15(17)19-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
SMILES CCCCOC1CC1(C)C(=O)OCc1ccccc1
InChI Key LINLPRGBVJJUCX-UHFFFAOYSA-N
Molecular Formula C16H22O3
Exact Mass 262.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LINLPRGBVJJUCX-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/LINLPRGBVJJUCX-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-05
Related Molecule
  • benzyl 2-butoxy-1-methylcyclopropane-1-carboxylate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162533410 PubChem
    The data in this table is sourced from UniChem at EBI.