Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H17N/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-14,22H,17H2
SMILES	c1ccc(cc1)CNc1ccccc1C#Cc1ccccc1
InChI Key	IBVZZAGOGYLVHY-UHFFFAOYSA-N
Molecular Formula	C21H17N
Exact Mass	283.366 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IBVZZAGOGYLVHY-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/IBVZZAGOGYLVHY-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:00:43.503253
MetadataModified	2024-09-07T16:25:50.406402
MetadataPublished	2020-02-03

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.267.510I	Nikkaji
13114046	PubChem
The data in this table is sourced from UniChem at EBI.