Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C24H15N/c1-4-19-7-13-22(14-8-19)25(23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h1-3,7-18H
SMILES	C#Cc1ccc(cc1)N(c1ccc(cc1)C#C)c1ccc(cc1)C#C
InChI Key	QGICIDGCKPUALM-UHFFFAOYSA-N
Molecular Formula	C24H15N
Exact Mass	317.383 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QGICIDGCKPUALM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QGICIDGCKPUALM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Ksenia Kutonova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:10:57.213564
MetadataModified	2024-09-07T19:18:20.068091
MetadataPublished	2020-11-09
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL1478591	SureChEMBL
J958.774H	Nikkaji
CB32717839	ChemicalBook
DTXSID70634194	EPA CompTox Dashboard
23443705	PubChem
The data in this table is sourced from UniChem at EBI.