Dataset

mass spectrometry (MS)

Chemical Info

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

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

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
MetadataCreated	2024-09-08T04:11:00.750880
MetadataModified	2024-09-08T04:11:00.750886
MetadataPublished	2024-07-10

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.