Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H12N2/c21-13-19-17(15-7-3-1-4-8-15)11-12-18(20(19)14-22)16-9-5-2-6-10-16/h1-12H
SMILES N#Cc1c(C#N)c(ccc1c1ccccc1)c1ccccc1
InChI Key SKTSZLTUDJZCEX-UHFFFAOYSA-N
Molecular Formula C20H12N2
Exact Mass 280.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SKTSZLTUDJZCEX-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/SKTSZLTUDJZCEX-UHFFFAOYSA-N/CHMO0000470
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-08T03:06:31.580115
MetadataModified 2025-03-09T03:15:44.709482
MetadataPublished 2025-03-07
Related Molecule
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10945840 PubChem
SCHEMBL4958212 SureChEMBL
15999265 PubChem: Thomson Pharma
J1.657.951C Nikkaji
The data in this table is sourced from UniChem at EBI.