Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H10N2/c1-3-13-5-9-15(10-6-13)17-18-16-11-7-14(4-2)8-12-16/h1-2,5-12H/b18-17+
SMILES	C#Cc1ccc(cc1)/N=N/c1ccc(cc1)C#C
InChI Key	UWRWLWRXCLCEAL-ISLYRVAYSA-N
Molecular Formula	C16H10N2
Exact Mass	230.264 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UWRWLWRXCLCEAL-ISLYRVAYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/UWRWLWRXCLCEAL-ISLYRVAYSA-N/Mass
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:55:39.838459
MetadataModified	2024-09-07T14:51:16.361952
MetadataPublished	2019-03-25

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J1.714.592D	Nikkaji
XOVCAM	CCDC
DTXSID00476468	EPA CompTox Dashboard
ZINC000113193792	ZINC
103774869	PubChem: Thomson Pharma
SCHEMBL137428	SureChEMBL
The data in this table is sourced from UniChem at EBI.