Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Info

molecular Image
InChI InChI=1S/C21H19N/c1-3-17-4-2-16(1)5-6-18-8-10-19(9-7-17)21(15-18)20-11-13-22-14-12-20/h1-4,8,10-15H,5-7,9H2
SMILES n1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key KMTTZSIPTTZKET-UHFFFAOYSA-N
Molecular Formula C21H19N
Exact Mass 285.382 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KMTTZSIPTTZKET-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/KMTTZSIPTTZKET-UHFFFAOYSA-N/CHMO0000470
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyridine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15321284 PubChem
    The data in this table is sourced from UniChem at EBI.