Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C19H18O2/c1-13(19(20)21)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,1,6-8,10H2,(H,20,21)
SMILES C=C(c1cc2CCc3ccc(CCc1cc2)cc3)C(=O)O
InChI Key PKXPSPVTLWBIDU-UHFFFAOYSA-N
Molecular Formula C19H18O2
Exact Mass 278.345 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PKXPSPVTLWBIDU-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/PKXPSPVTLWBIDU-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-06-12
Related Molecule
  • 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-enoic acid
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155923303 pubchem
    The data in this table is sourced from UniChem at EBI.