Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H8N2/c1-2-9-7-13-11-4-3-8(6-12)5-10(9)11/h2-5,7,13H,1H2
SMILES	C=Cc1c[nH]c2c1cc(C#N)cc2
InChI Key	OHIGKOFNMGVKOJ-UHFFFAOYSA-N
Molecular Formula	C11H8N2
Exact Mass	168.195 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/OHIGKOFNMGVKOJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OHIGKOFNMGVKOJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:58:43.653064
MetadataModified	2024-09-08T01:58:43.653070
MetadataPublished	2023-11-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169408878	PubChem
The data in this table is sourced from UniChem at EBI.