Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C22H16N2/c1-5-19(21-9-13-23-14-10-21)6-2-17(1)18-3-7-20(8-4-18)22-11-15-24-16-12-22/h1-16H
SMILES	n1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccncc1
InChI Key	RERPRBPQDPHWCZ-UHFFFAOYSA-N
Molecular Formula	C22H16N2
Exact Mass	308.376 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RERPRBPQDPHWCZ-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/RERPRBPQDPHWCZ-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:31:41.640978
MetadataModified	2024-09-07T18:27:28.133959
MetadataPublished	2020-08-08

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15522155	PubChem
SCHEMBL10000032	SureChEMBL
CB72468539	ChemicalBook
J1.439.013H	Nikkaji
ZINC000034577881	ZINC
UXEGOV	CCDC
The data in this table is sourced from UniChem at EBI.