Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C18H18O/c1-3-14-4-2-13(1)5-6-15-8-10-16(9-7-14)17(11-15)18-12-19-18/h1-4,8,10-11,18H,5-7,9,12H2
SMILES c1cc2CCc3ccc(CCc1cc2)c(c3)C1OC1
InChI Key QHARUYCUDOUFLM-UHFFFAOYSA-N
Molecular Formula C18H18O
Exact Mass 250.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QHARUYCUDOUFLM-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/QHARUYCUDOUFLM-UHFFFAOYSA-N/CHMO0000470
Version
Author Patrick Kern
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:49:47.155477
MetadataModified 2024-09-08T03:49:47.155482
MetadataPublished 2024-06-05
Related Molecule
  • 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)oxirane
  • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.359.023I Nikkaji
    101405827 PubChem
    The data in this table is sourced from UniChem at EBI.