Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H18O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-11,18H,5-7,9,12H2
SMILES OCc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key DBZFLKMLGVAMTF-UHFFFAOYSA-N
Molecular Formula C17H18O
Exact Mass 238.324 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBZFLKMLGVAMTF-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/DBZFLKMLGVAMTF-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-06-26
Related Molecule
  • 5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17057612 surechembl
    4419244 pubchem
    Molport-003-916-800 molport
    The data in this table is sourced from UniChem at EBI.