Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C29H20N2O/c30-21-24-16-19-27(20-17-24)29(32)31(22-25-11-5-2-6-12-25)28-14-8-7-13-26(28)18-15-23-9-3-1-4-10-23/h1-14,16-17,19-20H,22H2
SMILES	N#Cc1ccc(cc1)C(=O)N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1
InChI Key	LVTOEFGLHOWPFS-UHFFFAOYSA-N
Molecular Formula	C29H20N2O
Exact Mass	412.482 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LVTOEFGLHOWPFS-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LVTOEFGLHOWPFS-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:06:45.979852
MetadataModified	2024-09-08T00:01:07.328760
MetadataPublished	2022-12-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166175709	PubChem
The data in this table is sourced from UniChem at EBI.