Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C22H19N/c1-18-11-13-20(14-12-18)17-23-22-10-6-5-9-21(22)16-15-19-7-3-2-4-8-19/h2-14,23H,17H2,1H3
SMILES Cc1ccc(cc1)CNc1ccccc1C#Cc1ccccc1
InChI Key CMRJBHJXHQCUCH-UHFFFAOYSA-N
Molecular Formula C22H19N
Exact Mass 297.393 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CMRJBHJXHQCUCH-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CMRJBHJXHQCUCH-UHFFFAOYSA-N/CHMO0000470
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:19:38.238123
MetadataModified 2024-09-07T18:11:01.036414
MetadataPublished 2020-06-11
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
146170770 PubChem
The data in this table is sourced from UniChem at EBI.